(2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine

C86H84Cl3F5N28O7 — CID 159895755

IUPAC(2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine
SMILESCC[C@@H](N)C(N)=O.CC[C@@H](Nc1nc(Cl)c(C#N)cc1F)C(N)=O.CC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C#N)cc1F)C(N)=O.CC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O.CC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O.N#Cc1cc(F)c(Cl)nc1Cl.Nc1ccc2cccnc2c1
InChIInChI=1S/2C19H19FN6O2.C19H17FN6O.C10H10ClFN4O.C9H8N2.C6HCl2FN2.C4H10N2O/c2*1-2-14(17(22)28)25-19-13(20)9-12(16(21)27)18(26-19)24-11-6-5-10-4-3-7-23-15(10)8-11;1-2-15(17(22)27)25-19-14(20)8-12(10-21)18(26-19)24-13-6-5-11-4-3-7-23-16(11)9-13;1-2-7(9(14)17)15-10-6(12)3-5(4-13)8(11)16-10;10-8-4-3-7-2-1-5-11-9(7)6-8;7-5-3(2-10)1-4(9)6(8)11-5;1-2-3(5)4(6)7/h2*3-9,14H,2H2,1H3,(H2,21,27)(H2,22,28)(H2,24,25,26);3-9,15H,2H2,1H3,(H2,22,27)(H2,24,25,26);3,7H,2H2,1H3,(H2,14,17)(H,15,16);1-6H,10H2;1H;3H,2,5H2,1H3,(H2,6,7)/t2*14-;15-;7-;;;3-/m1111..1/s1
InChIKeyNVHZUNLEODIKCM-JCRYCNMYSA-N
MW1823.16 g/mol
LogP12.48
Rot. Bonds26

About (2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine

(2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine (PubChem CID 159895755) has the molecular formula C86H84Cl3F5N28O7 and a molecular weight of 1823.16 g/mol. Its IUPAC name is (2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine.

Molecular Properties

Compound Name(2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine
PubChem CID159895755
Molecular FormulaC86H84Cl3F5N28O7
Molecular Weight1823.16 g/mol
Exact Mass1820.61
IUPAC Name(2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine
SMILESCC[C@@H](N)C(N)=O.CC[C@@H](Nc1nc(Cl)c(C#N)cc1F)C(N)=O.CC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C#N)cc1F)C(N)=O.CC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O.CC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O.N#Cc1cc(F)c(Cl)nc1Cl.Nc1ccc2cccnc2c1
InChIInChI=1S/2C19H19FN6O2.C19H17FN6O.C10H10ClFN4O.C9H8N2.C6HCl2FN2.C4H10N2O/c2*1-2-14(17(22)28)25-19-13(20)9-12(16(21)27)18(26-19)24-11-6-5-10-4-3-7-23-15(10)8-11;1-2-15(17(22)27)25-19-14(20)8-12(10-21)18(26-19)24-13-6-5-11-4-3-7-23-16(11)9-13;1-2-7(9(14)17)15-10-6(12)3-5(4-13)8(11)16-10;10-8-4-3-7-2-1-5-11-9(7)6-8;7-5-3(2-10)1-4(9)6(8)11-5;1-2-3(5)4(6)7/h2*3-9,14H,2H2,1H3,(H2,21,27)(H2,22,28)(H2,24,25,26);3-9,15H,2H2,1H3,(H2,22,27)(H2,24,25,26);3,7H,2H2,1H3,(H2,14,17)(H,15,16);1-6H,10H2;1H;3H,2,5H2,1H3,(H2,6,7)/t2*14-;15-;7-;;;3-/m1111..1/s1
InChIKeyNVHZUNLEODIKCM-JCRYCNMYSA-N
XLogP12.48
TPSA625.26 Ų
H-Bond Donors16
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001823.16
LogP ≤ 512.48
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[(2R)-1-amino-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
CID 57335966
6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
CID 67511159
6-[(1-Amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
CID 67511161
6-[(1-Amino-1-oxopentan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
CID 67773899
6-[(1-Amino-1-oxopropan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
CID 67775533
6-[(1-Amino-4,4,4-trifluoro-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
CID 67776237
6-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
CID 69284980
6-[[(2R)-1-amino-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide
CID 69285069
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 87610811
6-[(2-Aminocyclohexyl)amino]-2-[(3-chloroquinolin-7-yl)amino]-5-fluoropyridine-3-carboxamide
CID 89538102
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(3-chloroquinolin-7-yl)amino]-5-fluoropyridine-3-carboxamide
CID 89538103
6-[[(2S)-2-aminocyclohexyl]amino]-2-[(3-chloroquinolin-7-yl)amino]-5-fluoropyridine-3-carboxamide
CID 89551802

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine?
The IUPAC name of (2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine (CID 159895755) is (2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine.
What is the SMILES notation for (2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine?
The canonical SMILES for (2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine is CC[C@@H](N)C(N)=O.CC[C@@H](Nc1nc(Cl)c(C#N)cc1F)C(N)=O.CC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C#N)cc1F)C(N)=O.CC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O.CC[C@@H](Nc1nc(Nc2ccc3cccnc3c2)c(C(N)=O)cc1F)C(N)=O.N#Cc1cc(F)c(Cl)nc1Cl.Nc1ccc2cccnc2c1.
What is the InChIKey of (2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine?
The InChIKey is NVHZUNLEODIKCM-JCRYCNMYSA-N. The full InChI is InChI=1S/2C19H19FN6O2.C19H17FN6O.C10H10ClFN4O.C9H8N2.C6HCl2FN2.C4H10N2O/c2*1-2-14(17(22)28)25-19-13(20)9-12(16(21)27)18(26-19)24-11-6-5-10-4-3-7-23-15(10)8-11;1-2-15(17(22)27)25-19-14(20)8-12(10-21)18(26-19)24-13-6-5-11-4-3-7-23-16(11)9-13;1-2-7(9(14)17)15-10-6(12)3-5(4-13)8(11)16-10;10-8-4-3-7-2-1-5-11-9(7)6-8;7-5-3(2-10)1-4(9)6(8)11-5;1-2-3(5)4(6)7/h2*3-9,14H,2H2,1H3,(H2,21,27)(H2,22,28)(H2,24,25,26);3-9,15H,2H2,1H3,(H2,22,27)(H2,24,25,26);3,7H,2H2,1H3,(H2,14,17)(H,15,16);1-6H,10H2;1H;3H,2,5H2,1H3,(H2,6,7)/t2*14-;15-;7-;;;3-/m1111..1/s1.
What are the key properties of (2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine?
(2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine has a molecular weight of 1823.16 g/mol, XLogP of 12.48, 26 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminobutanamide;bis(6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(quinolin-7-ylamino)pyridine-3-carboxamide);(2R)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]butanamide;(2R)-2-[[5-cyano-3-fluoro-6-(quinolin-7-ylamino)-2-pyridinyl]amino]butanamide;2,6-dichloro-5-fluoropyridine-3-carbonitrile;quinolin-7-amine is sourced from PubChem (CID 159895755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).