2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C14H16F3N3O2 — CID 6930830

IUPAC2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C14H16F3N3O2/c1-8-9(5-6-11(19-8)14(15,16)17)12(21)20-10-4-2-3-7-18-13(10)22/h5-6,10H,2-4,7H2,1H3,(H,18,22)(H,20,21)/t10-/m0/s1
InChIKeyOJPSDQRCEUUJRV-JTQLQIEISA-N
MW315.30 g/mol
LogP1.81
Rot. Bonds2

About 2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 6930830) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID6930830
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C14H16F3N3O2/c1-8-9(5-6-11(19-8)14(15,16)17)12(21)20-10-4-2-3-7-18-13(10)22/h5-6,10H,2-4,7H2,1H3,(H,18,22)(H,20,21)/t10-/m0/s1
InChIKeyOJPSDQRCEUUJRV-JTQLQIEISA-N
XLogP1.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
N-[(4S)-azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124938802
N-(4-hydroxycyclohexyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134004658
N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55809279
2-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120557628
2-(methylamino)-N-[(3S)-2-oxoazepan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154886904
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide
CID 23959970
5-methyl-N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide
CID 62192755
2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide
CID 113257291
2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide
CID 43704077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 6930830) is 2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of 2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OJPSDQRCEUUJRV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-8-9(5-6-11(19-8)14(15,16)17)12(21)20-10-4-2-3-7-18-13(10)22/h5-6,10H,2-4,7H2,1H3,(H,18,22)(H,20,21)/t10-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-2-oxoazepan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 6930830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).