(2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide

C11H15N3O2 — CID 61178864

IUPAC(2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCn1cc(NC(=O)[C@@H]2CCCN2)ccc1=O
InChIInChI=1S/C11H15N3O2/c1-14-7-8(4-5-10(14)15)13-11(16)9-3-2-6-12-9/h4-5,7,9,12H,2-3,6H2,1H3,(H,13,16)/t9-/m0/s1
InChIKeyKPQCIVZBMBBOFN-VIFPVBQESA-N
MW221.26 g/mol
LogP0.08
Rot. Bonds2

About (2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide

(2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 61178864) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID61178864
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
SMILESCn1cc(NC(=O)[C@@H]2CCCN2)ccc1=O
InChIInChI=1S/C11H15N3O2/c1-14-7-8(4-5-10(14)15)13-11(16)9-3-2-6-12-9/h4-5,7,9,12H,2-3,6H2,1H3,(H,13,16)/t9-/m0/s1
InChIKeyKPQCIVZBMBBOFN-VIFPVBQESA-N
XLogP0.08
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide
CID 164573536
N-(1-methyl-6-oxo-3-pyridinyl)cyclobutanecarboxamide
CID 47341780
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119344897
1-methyl-4-(pyrrolidine-2-carbonylamino)pyrrole-2-carboxamide
CID 119290226
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312607
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide (CID 61178864) is (2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide is Cn1cc(NC(=O)[C@@H]2CCCN2)ccc1=O.
What is the InChIKey of (2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is KPQCIVZBMBBOFN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14-7-8(4-5-10(14)15)13-11(16)9-3-2-6-12-9/h4-5,7,9,12H,2-3,6H2,1H3,(H,13,16)/t9-/m0/s1.
What are the key properties of (2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61178864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).