N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide

C20H33N3O2 — CID 50960473

IUPACN-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCCn1c(C)ccc(C(=O)N(CCN2CCCCCC2)C(C)C)c1=O
InChIInChI=1S/C20H33N3O2/c1-5-22-17(4)10-11-18(19(22)24)20(25)23(16(2)3)15-14-21-12-8-6-7-9-13-21/h10-11,16H,5-9,12-15H2,1-4H3
InChIKeyNJZCUNFOGVENAG-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide

N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 50960473) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide
PubChem CID50960473
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide
SMILESCCn1c(C)ccc(C(=O)N(CCN2CCCCCC2)C(C)C)c1=O
InChIInChI=1S/C20H33N3O2/c1-5-22-17(4)10-11-18(19(22)24)20(25)23(16(2)3)15-14-21-12-8-6-7-9-13-21/h10-11,16H,5-9,12-15H2,1-4H3
InChIKeyNJZCUNFOGVENAG-UHFFFAOYSA-N
XLogP2.90
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-aminoazepan-1-yl)-3-oxopropyl]-6-methylpyridin-2(1H)-one
CID 70705757
3-{[(3S)-3-(dimethylamino)azepan-1-yl]carbonyl}-6-isopropyl-1-methylpyridin-2(1H)-one
CID 70777443
3-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-6-isopropyl-1-methyl-2(1H)-pyridinone
CID 56875133
3-[(4-cyclopentyl-1,4-diazepan-1-yl)carbonyl]-1-ethyl-4,6-dimethyl-2(1H)-pyridinone
CID 70788055
3-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-1,6-dimethyl-2(1H)-pyridinone
CID 56872577
1-{3-[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]-3-oxopropyl}-6-methyl-2(1H)-pyridinone
CID 56877534
1-{3-[4-(dimethylamino)-1-azepanyl]-3-oxopropyl}-6-methyl-2(1H)-pyridinone
CID 56889027
3-{[4-(dimethylamino)-1-azepanyl]carbonyl}-6-ethyl-1,5-dimethyl-2(1H)-pyridinone
CID 56897965
3-{[4-(dimethylamino)-1-azepanyl]carbonyl}-1-ethyl-6-methyl-2(1H)-pyridinone
CID 56914847
N-[2-[cyclohexyl(methyl)amino]ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72047016
6-methyl-2-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-1H-pyridine-3-carboxamide
CID 72049288
N-[2-(azepan-1-yl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72049353

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide (CID 50960473) is N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide is CCn1c(C)ccc(C(=O)N(CCN2CCCCCC2)C(C)C)c1=O.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is NJZCUNFOGVENAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-22-17(4)10-11-18(19(22)24)20(25)23(16(2)3)15-14-21-12-8-6-7-9-13-21/h10-11,16H,5-9,12-15H2,1-4H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide?
N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1-ethyl-6-methyl-2-oxo-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 50960473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).