N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide

C20H18FN3O — CID 97127947

IUPACN-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
SMILESCc1cccc([C@@H](NC(=O)c2ccc3cccc(F)c3n2)C2CC2)n1
InChIInChI=1S/C20H18FN3O/c1-12-4-2-7-16(22-12)19(14-8-9-14)24-20(25)17-11-10-13-5-3-6-15(21)18(13)23-17/h2-7,10-11,14,19H,8-9H2,1H3,(H,24,25)/t19-/m0/s1
InChIKeyVEMILUIBWALMFA-IBGZPJMESA-N
MW335.38 g/mol
LogP3.96
Rot. Bonds4

About N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide

N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide (PubChem CID 97127947) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
PubChem CID97127947
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
SMILESCc1cccc([C@@H](NC(=O)c2ccc3cccc(F)c3n2)C2CC2)n1
InChIInChI=1S/C20H18FN3O/c1-12-4-2-7-16(22-12)19(14-8-9-14)24-20(25)17-11-10-13-5-3-6-15(21)18(13)23-17/h2-7,10-11,14,19H,8-9H2,1H3,(H,24,25)/t19-/m0/s1
InChIKeyVEMILUIBWALMFA-IBGZPJMESA-N
XLogP3.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 70738649
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119062587
N-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 125164990
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide
CID 126423675
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 118766529
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 118778490
N-[(1R)-1-cyclopropylethyl]-6-methylpyridine-2-carboxamide
CID 33045236
1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea
CID 97454673
5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 74231777
2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide
CID 118779828
8-fluoro-N-hexylquinoline-2-carboxamide
CID 110485324
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylacetamide
CID 91833208

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide (CID 97127947) is N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide is Cc1cccc([C@@H](NC(=O)c2ccc3cccc(F)c3n2)C2CC2)n1.
What is the InChIKey of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide?
The InChIKey is VEMILUIBWALMFA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18FN3O/c1-12-4-2-7-16(22-12)19(14-8-9-14)24-20(25)17-11-10-13-5-3-6-15(21)18(13)23-17/h2-7,10-11,14,19H,8-9H2,1H3,(H,24,25)/t19-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide?
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide is sourced from PubChem (CID 97127947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).