5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide

C12H16N2O — CID 178011201

IUPAC5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide
SMILESCC/C=C/CNC(=O)c1cncc(C)c1
InChIInChI=1S/C12H16N2O/c1-3-4-5-6-14-12(15)11-7-10(2)8-13-9-11/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)/b5-4+
InChIKeyNRUDCTLUNZZRRW-SNAWJCMRSA-N
MW204.27 g/mol
LogP2.09
Rot. Bonds4

About 5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide

5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide (PubChem CID 178011201) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide
PubChem CID178011201
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide
SMILESCC/C=C/CNC(=O)c1cncc(C)c1
InChIInChI=1S/C12H16N2O/c1-3-4-5-6-14-12(15)11-7-10(2)8-13-9-11/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)/b5-4+
InChIKeyNRUDCTLUNZZRRW-SNAWJCMRSA-N
XLogP2.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylpyridine-3-carboxamide
CID 104629967
N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
CID 111539461
N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide
CID 114309523
N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 104593590
N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide
CID 66092534
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
CID 113294750
N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
CID 107158461
N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide
CID 114310132
N-(1-iodo-3-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 107859937

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide (CID 178011201) is 5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide is CC/C=C/CNC(=O)c1cncc(C)c1.
What is the InChIKey of 5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide?
The InChIKey is NRUDCTLUNZZRRW-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-4-5-6-14-12(15)11-7-10(2)8-13-9-11/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)/b5-4+.
What are the key properties of 5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide?
5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide is sourced from PubChem (CID 178011201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).