N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide

C17H22N4O2 — CID 47056927

IUPACN-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
SMILESC#CCNC(=O)CN1CCC(C(=O)Nc2cccc(C)n2)CC1
InChIInChI=1S/C17H22N4O2/c1-3-9-18-16(22)12-21-10-7-14(8-11-21)17(23)20-15-6-4-5-13(2)19-15/h1,4-6,14H,7-12H2,2H3,(H,18,22)(H,19,20,23)
InChIKeyNWUREHAIKJKLQR-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.79
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide

N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide (PubChem CID 47056927) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
PubChem CID47056927
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
SMILESC#CCNC(=O)CN1CCC(C(=O)Nc2cccc(C)n2)CC1
InChIInChI=1S/C17H22N4O2/c1-3-9-18-16(22)12-21-10-7-14(8-11-21)17(23)20-15-6-4-5-13(2)19-15/h1,4-6,14H,7-12H2,2H3,(H,18,22)(H,19,20,23)
InChIKeyNWUREHAIKJKLQR-UHFFFAOYSA-N
XLogP0.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
1-[3-(carbamoylamino)-3-oxopropyl]-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 51107046
1-[2-(2-methylpropylamino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56814486
N-methyl-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 42542709
2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide
CID 51322931
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60522958
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147
N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-4-carboxamide
CID 94821290
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401115
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
CID 78983867
2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 54895410

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide (CID 47056927) is N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide is C#CCNC(=O)CN1CCC(C(=O)Nc2cccc(C)n2)CC1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is NWUREHAIKJKLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-9-18-16(22)12-21-10-7-14(8-11-21)17(23)20-15-6-4-5-13(2)19-15/h1,4-6,14H,7-12H2,2H3,(H,18,22)(H,19,20,23).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide?
N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 47056927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).