6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide

C19H26N4O2 — CID 136545370

IUPAC6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCCc1nocc1CN(C)C(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C19H26N4O2/c1-3-17-16(14-25-21-17)13-22(2)19(24)15-8-9-18(20-12-15)23-10-6-4-5-7-11-23/h8-9,12,14H,3-7,10-11,13H2,1-2H3
InChIKeyXPRFZIFWMKVPMH-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.28
Rot. Bonds5

About 6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide

6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 136545370) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID136545370
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCCc1nocc1CN(C)C(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C19H26N4O2/c1-3-17-16(14-25-21-17)13-22(2)19(24)15-8-9-18(20-12-15)23-10-6-4-5-7-11-23/h8-9,12,14H,3-7,10-11,13H2,1-2H3
InChIKeyXPRFZIFWMKVPMH-UHFFFAOYSA-N
XLogP3.28
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 112837376
6-(azepan-1-yl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 39556788
N-(4-hydroxyphenyl)-N-methyl-6-piperidin-1-ylpyridine-3-carboxamide
CID 84570217
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119358653
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 42596308
N-methyl-6-morpholin-4-yl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 18163518
2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one
CID 83888261
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 30019585
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 46560073
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide (CID 136545370) is 6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide is CCc1nocc1CN(C)C(=O)c1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is XPRFZIFWMKVPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-17-16(14-25-21-17)13-22(2)19(24)15-8-9-18(20-12-15)23-10-6-4-5-7-11-23/h8-9,12,14H,3-7,10-11,13H2,1-2H3.
What are the key properties of 6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide?
6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 136545370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).