aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide

C36H33ClF2N10O2 — CID 160857576

IUPACaniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Cl.CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1.Nc1ccccc1
InChIInChI=1S/C18H16FN5O.C12H10ClFN4O.C6H7N/c1-20-18(25)14-11-22-17(24-16-8-7-12(19)10-21-16)9-15(14)23-13-5-3-2-4-6-13;1-15-12(19)8-6-17-11(4-9(8)13)18-10-3-2-7(14)5-16-10;7-6-4-2-1-3-5-6/h2-11H,1H3,(H,20,25)(H2,21,22,23,24);2-6H,1H3,(H,15,19)(H,16,17,18);1-5H,7H2
InChIKeySKBGZHDLJDWQAV-UHFFFAOYSA-N
MW711.18 g/mol
LogP7.10
Rot. Bonds8

About aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide

aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 160857576) has the molecular formula C36H33ClF2N10O2 and a molecular weight of 711.18 g/mol. Its IUPAC name is aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Nameaniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID160857576
Molecular FormulaC36H33ClF2N10O2
Molecular Weight711.18 g/mol
Exact Mass710.24
IUPAC Nameaniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Cl.CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1.Nc1ccccc1
InChIInChI=1S/C18H16FN5O.C12H10ClFN4O.C6H7N/c1-20-18(25)14-11-22-17(24-16-8-7-12(19)10-21-16)9-15(14)23-13-5-3-2-4-6-13;1-15-12(19)8-6-17-11(4-9(8)13)18-10-3-2-7(14)5-16-10;7-6-4-2-1-3-5-6/h2-11H,1H3,(H,20,25)(H2,21,22,23,24);2-6H,1H3,(H,15,19)(H,16,17,18);1-5H,7H2
InChIKeySKBGZHDLJDWQAV-UHFFFAOYSA-N
XLogP7.10
TPSA171.87 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500711.18
LogP ≤ 57.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide with MolForge

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Related Compounds

6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methoxybenzoic acid
CID 90154018
6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine
CID 161321206
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468
4-[(1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 171437161
4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane
CID 144625201
2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid
CID 170160495
6-amino-N-methyl-4-(2-methylanilino)pyridine-3-carboxamide
CID 122579392
lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridine-3-carboxamide;3-methylsulfanylpyridin-2-amine
CID 158138843
4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 71621638
tert-butyl 2-aminoacetate;tert-butyl 2-[[4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methylbenzoyl]amino]acetate;6-[(5-fluoro-2-pyridinyl)amino]-4-[4-(hydrazinecarbonyl)-2-methylanilino]-N-methylpyridine-3-carboxamide;4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methylbenzoic acid;methane;tris(sulfur dioxide)
CID 160573330
2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide
CID 58497347

Frequently Asked Questions

What is the IUPAC name of aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 160857576) is aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Cl.CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1.Nc1ccccc1.
What is the InChIKey of aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is SKBGZHDLJDWQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O.C12H10ClFN4O.C6H7N/c1-20-18(25)14-11-22-17(24-16-8-7-12(19)10-21-16)9-15(14)23-13-5-3-2-4-6-13;1-15-12(19)8-6-17-11(4-9(8)13)18-10-3-2-7(14)5-16-10;7-6-4-2-1-3-5-6/h2-11H,1H3,(H,20,25)(H2,21,22,23,24);2-6H,1H3,(H,15,19)(H,16,17,18);1-5H,7H2.
What are the key properties of aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 711.18 g/mol, XLogP of 7.10, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 160857576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).