2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C17H25N3O2 — CID 3192331

IUPAC2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccnc1N1CCCCCC1
InChIInChI=1S/C17H25N3O2/c21-17(19-13-14-7-6-12-22-14)15-8-5-9-18-16(15)20-10-3-1-2-4-11-20/h5,8-9,14H,1-4,6-7,10-13H2,(H,19,21)
InChIKeyYZEYEMBHGHEPCO-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.37
Rot. Bonds4

About 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 3192331) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID3192331
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccnc1N1CCCCCC1
InChIInChI=1S/C17H25N3O2/c21-17(19-13-14-7-6-12-22-14)15-8-5-9-18-16(15)20-10-3-1-2-4-11-20/h5,8-9,14H,1-4,6-7,10-13H2,(H,19,21)
InChIKeyYZEYEMBHGHEPCO-UHFFFAOYSA-N
XLogP2.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92757124
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084284
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92760589
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756865
N-[(2S)-butan-2-yl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92756864
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756835
N-[(2-fluorophenyl)methyl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92760923
4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 92761567
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42670318
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084292

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 3192331) is 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cccnc1N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is YZEYEMBHGHEPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(19-13-14-7-6-12-22-14)15-8-5-9-18-16(15)20-10-3-1-2-4-11-20/h5,8-9,14H,1-4,6-7,10-13H2,(H,19,21).
What are the key properties of 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3192331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).