N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide

C14H17N3O2 — CID 71937481

IUPACN-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)Nc2c[nH]ccc2=O)CC1
InChIInChI=1S/C14H17N3O2/c1-2-7-17-8-4-11(5-9-17)14(19)16-12-10-15-6-3-13(12)18/h1,3,6,10-11H,4-5,7-9H2,(H,15,18)(H,16,19)
InChIKeySZPQGVZZHXZEBQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.66
Rot. Bonds3

About N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide

N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 71937481) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide
PubChem CID71937481
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)Nc2c[nH]ccc2=O)CC1
InChIInChI=1S/C14H17N3O2/c1-2-7-17-8-4-11(5-9-17)14(19)16-12-10-15-6-3-13(12)18/h1,3,6,10-11H,4-5,7-9H2,(H,15,18)(H,16,19)
InChIKeySZPQGVZZHXZEBQ-UHFFFAOYSA-N
XLogP0.66
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 47069247
N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 86850936
N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71938113
N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 51092869
1-[4-cyano-2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-4-carboxamide
CID 39315489
N-(1,2-benzothiazol-5-yl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 75511056
N-[4-[4-(hydroxymethyl)triazol-1-yl]phenyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 86802269
(3R)-1-naphthalen-1-yl-5-oxo-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-3-carboxamide
CID 52527278
N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 96531775
N-(2-hydroxy-3-phenylpropyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 111102602
(3R)-1-(1,3-benzothiazol-2-yl)-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 94461774
N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
CID 43756950

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide (CID 71937481) is N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)Nc2c[nH]ccc2=O)CC1.
What is the InChIKey of N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is SZPQGVZZHXZEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-7-17-8-4-11(5-9-17)14(19)16-12-10-15-6-3-13(12)18/h1,3,6,10-11H,4-5,7-9H2,(H,15,18)(H,16,19).
What are the key properties of N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide?
N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 71937481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).