6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide

C16H22N4O3 — CID 72853540

IUPAC6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCN1CC(C(=O)N2CCc3cc(C(N)=O)n(C)c3C2)CC1=O
InChIInChI=1S/C16H22N4O3/c1-3-19-8-11(7-14(19)21)16(23)20-5-4-10-6-12(15(17)22)18(2)13(10)9-20/h6,11H,3-5,7-9H2,1-2H3,(H2,17,22)
InChIKeyKMGIVMKSMGNZLB-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.12
Rot. Bonds3

About 6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide

6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 72853540) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID72853540
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCN1CC(C(=O)N2CCc3cc(C(N)=O)n(C)c3C2)CC1=O
InChIInChI=1S/C16H22N4O3/c1-3-19-8-11(7-14(19)21)16(23)20-5-4-10-6-12(15(17)22)18(2)13(10)9-20/h6,11H,3-5,7-9H2,1-2H3,(H2,17,22)
InChIKeyKMGIVMKSMGNZLB-UHFFFAOYSA-N
XLogP-0.12
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-N,N,1-trimethyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 97121655
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3-methylbutyl)pyrrolidin-2-one
CID 113185612
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(4S)-4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 95866539
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
4-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1,4-diazepan-2-one
CID 62896637
(4R)-1-ethyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one
CID 97196653
6-[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 97118952
4-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylpyrrolidin-2-one
CID 75460865
(4S)-4-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-1-ethylpyrrolidin-2-one
CID 92591186
1-ethyl-4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-2-one
CID 126775978
4-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-ethylpyrrolidin-2-one
CID 72869686

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 72853540) is 6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCN1CC(C(=O)N2CCc3cc(C(N)=O)n(C)c3C2)CC1=O.
What is the InChIKey of 6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KMGIVMKSMGNZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-19-8-11(7-14(19)21)16(23)20-5-4-10-6-12(15(17)22)18(2)13(10)9-20/h6,11H,3-5,7-9H2,1-2H3,(H2,17,22).
What are the key properties of 6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide?
6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 72853540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).