2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide

C27H27FN6O2 — CID 156830049

IUPAC2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(=O)N(C)C)cn3)[C@H](C)c3ncccc3F)ccc2nc1N
InChIInChI=1S/C27H27FN6O2/c1-16-12-20-13-18(8-10-23(20)32-25(16)29)27(36)34(17(2)24-22(28)6-5-11-30-24)15-21-9-7-19(14-31-21)26(35)33(3)4/h5-14,17H,15H2,1-4H3,(H2,29,32)/t17-/m1/s1
InChIKeyYNABCWQUYWJRTH-QGZVFWFLSA-N
MW486.55 g/mol
LogP4.16
Rot. Bonds6

About 2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide

2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide (PubChem CID 156830049) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is 2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
PubChem CID156830049
Molecular FormulaC27H27FN6O2
Molecular Weight486.55 g/mol
Exact Mass486.22
IUPAC Name2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(=O)N(C)C)cn3)[C@H](C)c3ncccc3F)ccc2nc1N
InChIInChI=1S/C27H27FN6O2/c1-16-12-20-13-18(8-10-23(20)32-25(16)29)27(36)34(17(2)24-22(28)6-5-11-30-24)15-21-9-7-19(14-31-21)26(35)33(3)4/h5-14,17H,15H2,1-4H3,(H2,29,32)/t17-/m1/s1
InChIKeyYNABCWQUYWJRTH-QGZVFWFLSA-N
XLogP4.16
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-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

methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate
CID 156830044
2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
CID 156830557
2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
CID 156830928
2-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-[1-(3-chloro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
CID 166709771
2-amino-N-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830214
2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide
CID 166709843
2-amino-N-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-3-methyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]quinoline-6-carboxamide
CID 156830856
2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830132
2-amino-3-methyl-N-[(5-morpholin-4-yl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830676
2-amino-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710064
2-amino-N-[(4-chloro-5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830834
2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830428

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide?
The IUPAC name of 2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide (CID 156830049) is 2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(=O)N(C)C)cn3)[C@H](C)c3ncccc3F)ccc2nc1N.
What is the InChIKey of 2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide?
The InChIKey is YNABCWQUYWJRTH-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H27FN6O2/c1-16-12-20-13-18(8-10-23(20)32-25(16)29)27(36)34(17(2)24-22(28)6-5-11-30-24)15-21-9-7-19(14-31-21)26(35)33(3)4/h5-14,17H,15H2,1-4H3,(H2,29,32)/t17-/m1/s1.
What are the key properties of 2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide?
2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide is sourced from PubChem (CID 156830049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).