1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one

C19H27N3O2 — CID 167882607

IUPAC1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one
SMILESCCC(CC)N1CC(C(=O)N2CCCc3ncccc3C2)CC1=O
InChIInChI=1S/C19H27N3O2/c1-3-16(4-2)22-13-15(11-18(22)23)19(24)21-10-6-8-17-14(12-21)7-5-9-20-17/h5,7,9,15-16H,3-4,6,8,10-13H2,1-2H3
InChIKeyKRSKFUJMTWCRTO-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.39
Rot. Bonds4

About 1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one

1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one (PubChem CID 167882607) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one
PubChem CID167882607
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one
SMILESCCC(CC)N1CC(C(=O)N2CCCc3ncccc3C2)CC1=O
InChIInChI=1S/C19H27N3O2/c1-3-16(4-2)22-13-15(11-18(22)23)19(24)21-10-6-8-17-14(12-21)7-5-9-20-17/h5,7,9,15-16H,3-4,6,8,10-13H2,1-2H3
InChIKeyKRSKFUJMTWCRTO-UHFFFAOYSA-N
XLogP2.39
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97275458
1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112826915
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 112826883
1-(1,3-benzothiazol-2-yl)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-2-one
CID 154820263
1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone
CID 97193702
7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone
CID 60862419
4-(4-cyclopentylpiperazine-1-carbonyl)-1-pentan-3-ylpyrrolidin-2-one
CID 112826695
1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355319
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 108755676
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121190934
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one (CID 167882607) is 1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one is CCC(CC)N1CC(C(=O)N2CCCc3ncccc3C2)CC1=O.
What is the InChIKey of 1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one?
The InChIKey is KRSKFUJMTWCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-16(4-2)22-13-15(11-18(22)23)19(24)21-10-6-8-17-14(12-21)7-5-9-20-17/h5,7,9,15-16H,3-4,6,8,10-13H2,1-2H3.
What are the key properties of 1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one?
1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-4-(5,7,8,9-tetrahydropyrido[3,2-c]azepine-6-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 167882607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).