N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide

C18H29N3O2 — CID 50957697

IUPACN-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCN2CCCCCC2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C18H29N3O2/c1-14(2)21(11-10-20-8-6-4-5-7-9-20)18(23)16-12-15(3)19-17(22)13-16/h12-14H,4-11H2,1-3H3,(H,19,22)
InChIKeyMBMUPVDGPRLRNS-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide

N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide (PubChem CID 50957697) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide
PubChem CID50957697
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCN2CCCCCC2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C18H29N3O2/c1-14(2)21(11-10-20-8-6-4-5-7-9-20)18(23)16-12-15(3)19-17(22)13-16/h12-14H,4-11H2,1-3H3,(H,19,22)
InChIKeyMBMUPVDGPRLRNS-UHFFFAOYSA-N
XLogP2.41
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2H-Azepin-2-one, 1,3-dihydro-1-(2-(hexahydro-1H-azepin-1-yl)ethyl)-3,5,7-trimethyl-, hydrochloride
CID 15494
3-{[(3S)-3-(dimethylamino)azepan-1-yl]carbonyl}-6-isopropyl-1-methylpyridin-2(1H)-one
CID 70777443
4-[(1S*,6R*)-3,9-diazabicyclo[4.2.1]non-3-ylcarbonyl]-6-methylpyridin-2(1H)-one
CID 50950600
4-[(3S)-3-aminopiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 97894208
2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide
CID 164639454
N-(5-(azepane-1-carbonyl)-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)butyramide
CID 45498220
N-(5-(azepane-1-carbonyl)-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)pivalamide
CID 45498221
N-(5-(azepane-1-carbonyl)-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)cyclopropanecarboxamide
CID 45498223
3-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-4,6-dimethyl-2(1H)-pyridinone
CID 56877982
3-{[4-(dimethylamino)-1-azepanyl]carbonyl}-6,7-dihydro-5H-cyclopenta[b]pyridin-2-ol
CID 56918676
3-[(4-cyclopentyl-1,4-diazepan-1-yl)carbonyl]-1-ethyl-4,6-dimethyl-2(1H)-pyridinone
CID 70788055
N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-N-propan-2-ylacetamide
CID 19012312

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide (CID 50957697) is N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide is Cc1cc(C(=O)N(CCN2CCCCCC2)C(C)C)cc(=O)[nH]1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide?
The InChIKey is MBMUPVDGPRLRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)21(11-10-20-8-6-4-5-7-9-20)18(23)16-12-15(3)19-17(22)13-16/h12-14H,4-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide?
N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-methyl-6-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 50957697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).