N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide

C17H21N3O2 — CID 139011136

IUPACN-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cn1)C1CC12CCCC2
InChIInChI=1S/C17H21N3O2/c21-15-4-3-9-20(15)12-5-6-14(18-11-12)19-16(22)13-10-17(13)7-1-2-8-17/h5-6,11,13H,1-4,7-10H2,(H,18,19,22)
InChIKeyMLCRTZBWFVWTHQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.73
Rot. Bonds3

About N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide

N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide (PubChem CID 139011136) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide
PubChem CID139011136
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cn1)C1CC12CCCC2
InChIInChI=1S/C17H21N3O2/c21-15-4-3-9-20(15)12-5-6-14(18-11-12)19-16(22)13-10-17(13)7-1-2-8-17/h5-6,11,13H,1-4,7-10H2,(H,18,19,22)
InChIKeyMLCRTZBWFVWTHQ-UHFFFAOYSA-N
XLogP2.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066179
(2R)-2-amino-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]propanamide;hydrochloride
CID 120873315
1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-3-pyridin-3-ylurea
CID 58150071
8-methoxy-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]naphthalene-1-carboxamide
CID 167768311
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
CID 10217341
1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
CID 126783097
N-(5-methyl-2-pyridinyl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55810049
(2S)-N-(4-methylsulfanylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26339181
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-(5-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51250769
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide (CID 139011136) is N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide is O=C(Nc1ccc(N2CCCC2=O)cn1)C1CC12CCCC2.
What is the InChIKey of N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide?
The InChIKey is MLCRTZBWFVWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-15-4-3-9-20(15)12-5-6-14(18-11-12)19-16(22)13-10-17(13)7-1-2-8-17/h5-6,11,13H,1-4,7-10H2,(H,18,19,22).
What are the key properties of N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide?
N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 139011136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).