6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

C13H18N4O2 — CID 143798014

IUPAC6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCCCN2CCCC2=O)cn1
InChIInChI=1S/C13H18N4O2/c14-11-5-4-10(9-16-11)13(19)15-6-2-8-17-7-1-3-12(17)18/h4-5,9H,1-3,6-8H2,(H2,14,16)(H,15,19)
InChIKeyNGPARFWKHFWPHF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.41
Rot. Bonds5

About 6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 143798014) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID143798014
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCCCN2CCCC2=O)cn1
InChIInChI=1S/C13H18N4O2/c14-11-5-4-10(9-16-11)13(19)15-6-2-8-17-7-1-3-12(17)18/h4-5,9H,1-3,6-8H2,(H2,14,16)(H,15,19)
InChIKeyNGPARFWKHFWPHF-UHFFFAOYSA-N
XLogP0.41
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 60635904
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2532950
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
6-amino-N-(3-cyclopentylpropyl)pyridine-3-carboxamide
CID 114137460
3-amino-4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 89388512
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide
CID 122562091

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (CID 143798014) is 6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is Nc1ccc(C(=O)NCCCN2CCCC2=O)cn1.
What is the InChIKey of 6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is NGPARFWKHFWPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-11-5-4-10(9-16-11)13(19)15-6-2-8-17-7-1-3-12(17)18/h4-5,9H,1-3,6-8H2,(H2,14,16)(H,15,19).
What are the key properties of 6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 143798014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).