3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide

C14H16N4O2 — CID 107524262

IUPAC3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C14H16N4O2/c15-7-1-4-10-5-2-8-16-12(10)14(20)18-11-6-3-9-17-13(11)19/h2,5,8,11H,3,6-7,9,15H2,(H,17,19)(H,18,20)
InChIKeyDWJCDMPOUOIYTN-UHFFFAOYSA-N
MW272.31 g/mol
LogP-0.60
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide (PubChem CID 107524262) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
PubChem CID107524262
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C14H16N4O2/c15-7-1-4-10-5-2-8-16-12(10)14(20)18-11-6-3-9-17-13(11)19/h2,5,8,11H,3,6-7,9,15H2,(H,17,19)(H,18,20)
InChIKeyDWJCDMPOUOIYTN-UHFFFAOYSA-N
XLogP-0.60
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 113447702
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 62092644
3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 107523986
3-(3-aminoprop-1-ynyl)-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 107524869
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107524154
2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 114326439
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylbutan-2-yl)pyridine-2-carboxamide
CID 107524452
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)-2-pyridinyl]methanone
CID 107524658
3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide
CID 107524467
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-aminoprop-1-ynyl)pyridine-2-carboxamide
CID 106240712
N-(2-hydroxycycloheptyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523083

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide (CID 107524262) is 3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide is NCC#Cc1cccnc1C(=O)NC1CCCNC1=O.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide?
The InChIKey is DWJCDMPOUOIYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-7-1-4-10-5-2-8-16-12(10)14(20)18-11-6-3-9-17-13(11)19/h2,5,8,11H,3,6-7,9,15H2,(H,17,19)(H,18,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107524262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).