2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide

C22H20F2N6O2 — CID 156830958

IUPAC2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide
SMILESCc1nc(CN(Cc2ccc(C(F)F)cn2)C(=O)c2ccc3nc(N)c(C)cc3c2)no1
InChIInChI=1S/C22H20F2N6O2/c1-12-7-16-8-14(4-6-18(16)28-21(12)25)22(31)30(11-19-27-13(2)32-29-19)10-17-5-3-15(9-26-17)20(23)24/h3-9,20H,10-11H2,1-2H3,(H2,25,28)
InChIKeyILRYBPPJLIZQKR-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.99
Rot. Bonds6

About 2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide

2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide (PubChem CID 156830958) has the molecular formula C22H20F2N6O2 and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide
PubChem CID156830958
Molecular FormulaC22H20F2N6O2
Molecular Weight438.44 g/mol
Exact Mass438.16
IUPAC Name2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide
SMILESCc1nc(CN(Cc2ccc(C(F)F)cn2)C(=O)c2ccc3nc(N)c(C)cc3c2)no1
InChIInChI=1S/C22H20F2N6O2/c1-12-7-16-8-14(4-6-18(16)28-21(12)25)22(31)30(11-19-27-13(2)32-29-19)10-17-5-3-15(9-26-17)20(23)24/h3-9,20H,10-11H2,1-2H3,(H2,25,28)
InChIKeyILRYBPPJLIZQKR-UHFFFAOYSA-N
XLogP3.99
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide 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

2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane
CID 156830078
2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide
CID 156830444
2-amino-N-[(2,6-difluorophenyl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830825
2-amino-3-methyl-N-(oxan-4-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830258
2-amino-N-but-3-ynyl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830876
methyl 4-[6-[[(2-amino-3-methylquinoline-6-carbonyl)-(pyrimidin-2-ylmethyl)amino]methyl]-3-pyridinyl]piperidine-1-carboxylate
CID 166719423
2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide
CID 166710038
2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide
CID 156830196
2-amino-N-but-3-yn-2-yl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830381
2-amino-N-[(2R,3R)-3-hydroxybutan-2-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830926
2-amino-3-methyl-N-[(3R)-3-pyrazol-1-ylbutyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710055
2-amino-3-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830433

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide (CID 156830958) is 2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide is Cc1nc(CN(Cc2ccc(C(F)F)cn2)C(=O)c2ccc3nc(N)c(C)cc3c2)no1.
What is the InChIKey of 2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide?
The InChIKey is ILRYBPPJLIZQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O2/c1-12-7-16-8-14(4-6-18(16)28-21(12)25)22(31)30(11-19-27-13(2)32-29-19)10-17-5-3-15(9-26-17)20(23)24/h3-9,20H,10-11H2,1-2H3,(H2,25,28).
What are the key properties of 2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide?
2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide has a molecular weight of 438.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).