2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide

C24H22FN5O3S — CID 156830196

IUPAC2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(S(C)(=O)=O)cn3)Cc3ncccc3F)ccc2nc1N
InChIInChI=1S/C24H22FN5O3S/c1-15-10-17-11-16(5-8-21(17)29-23(15)26)24(31)30(14-22-20(25)4-3-9-27-22)13-18-6-7-19(12-28-18)34(2,32)33/h3-12H,13-14H2,1-2H3,(H2,26,29)
InChIKeyJTWZMVYPUGGJGT-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.30
Rot. Bonds6

About 2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide

2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide (PubChem CID 156830196) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide
PubChem CID156830196
Molecular FormulaC24H22FN5O3S
Molecular Weight479.54 g/mol
Exact Mass479.14
IUPAC Name2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(S(C)(=O)=O)cn3)Cc3ncccc3F)ccc2nc1N
InChIInChI=1S/C24H22FN5O3S/c1-15-10-17-11-16(5-8-21(17)29-23(15)26)24(31)30(14-22-20(25)4-3-9-27-22)13-18-6-7-19(12-28-18)34(2,32)33/h3-12H,13-14H2,1-2H3,(H2,26,29)
InChIKeyJTWZMVYPUGGJGT-UHFFFAOYSA-N
XLogP3.30
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)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-[(2,6-difluorophenyl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830825
2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane
CID 156830078
2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
CID 156830049
2-amino-N-but-3-ynyl-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830876
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-7-fluoro-3-methyl-N-(pyrimidin-2-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830318
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
methyl 4-[6-[[(2-amino-3-methylquinoline-6-carbonyl)-(pyrimidin-2-ylmethyl)amino]methyl]-3-pyridinyl]piperidine-1-carboxylate
CID 166719423
2-amino-3-methyl-N-[(3R)-3-pyrazol-1-ylbutyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710055
2-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-3-methyl-N-(2-methylpropyl)quinoline-6-carboxamide
CID 156830444
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-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide (CID 156830196) is 2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(S(C)(=O)=O)cn3)Cc3ncccc3F)ccc2nc1N.
What is the InChIKey of 2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide?
The InChIKey is JTWZMVYPUGGJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c1-15-10-17-11-16(5-8-21(17)29-23(15)26)24(31)30(14-22-20(25)4-3-9-27-22)13-18-6-7-19(12-28-18)34(2,32)33/h3-12H,13-14H2,1-2H3,(H2,26,29).
What are the key properties of 2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide?
2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-N-[(5-methylsulfonyl-2-pyridinyl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).