2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C24H21F4N5O — CID 166719414

IUPAC2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C3CCCC3C#N)c(F)cc2nc1N
InChIInChI=1S/C24H21F4N5O/c1-13-7-15-8-18(19(25)9-20(15)32-22(13)30)23(34)33(21-4-2-3-14(21)10-29)12-17-6-5-16(11-31-17)24(26,27)28/h5-9,11,14,21H,2-4,12H2,1H3,(H2,30,32)
InChIKeyDKQMYFQVDWMTFY-UHFFFAOYSA-N
MW471.46 g/mol
LogP5.01
Rot. Bonds4

About 2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 166719414) has the molecular formula C24H21F4N5O and a molecular weight of 471.46 g/mol. Its IUPAC name is 2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID166719414
Molecular FormulaC24H21F4N5O
Molecular Weight471.46 g/mol
Exact Mass471.17
IUPAC Name2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C3CCCC3C#N)c(F)cc2nc1N
InChIInChI=1S/C24H21F4N5O/c1-13-7-15-8-18(19(25)9-20(15)32-22(13)30)23(34)33(21-4-2-3-14(21)10-29)12-17-6-5-16(11-31-17)24(26,27)28/h5-9,11,14,21H,2-4,12H2,1H3,(H2,30,32)
InChIKeyDKQMYFQVDWMTFY-UHFFFAOYSA-N
XLogP5.01
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide with MolForge

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Related Compounds

2-amino-N-[(1S,2S)-2-cyanocyclopentyl]-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830476
2-amino-N-[(1S,2S)-2-cyanocyclopentyl]-N-[(5-cyano-2-pyridinyl)methyl]-7-fluoro-3-methylquinoline-6-carboxamide
CID 156831017
2-amino-N-(2-cyanocyclopentyl)-N-[(5-cyano-2-pyridinyl)methyl]-7-fluoro-3-methylquinoline-6-carboxamide
CID 166719330
2-amino-N-[(5-cyano-2-pyridinyl)methyl]-7-fluoro-N-(2-isocyanocyclopentyl)-3-methylquinoline-6-carboxamide
CID 168750222
2-amino-7-fluoro-3-methyl-N-(pyrimidin-2-ylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830318
(3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383448
2-amino-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830684
2-amino-N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830326
2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166719436
2-amino-N-[(3S,4S)-4-methoxyoxan-3-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156831050
2-amino-3-methyl-N-[(1S,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830050
2-amino-N-[(2,6-difluorophenyl)methyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830825

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 166719414) is 2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C3CCCC3C#N)c(F)cc2nc1N.
What is the InChIKey of 2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is DKQMYFQVDWMTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O/c1-13-7-15-8-18(19(25)9-20(15)32-22(13)30)23(34)33(21-4-2-3-14(21)10-29)12-17-6-5-16(11-31-17)24(26,27)28/h5-9,11,14,21H,2-4,12H2,1H3,(H2,30,32).
What are the key properties of 2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 471.46 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanocyclopentyl)-7-fluoro-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 166719414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).