N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide

C16H14N2O — CID 99832245

IUPACN-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCN(C)C(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C16H14N2O/c1-3-9-18(2)16(19)15-10-14(11-17-12-15)13-7-5-4-6-8-13/h1,4-8,10-12H,9H2,2H3
InChIKeyJEUJBYSCBGJSRI-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.45
Rot. Bonds3

About N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide

N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 99832245) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID99832245
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCN(C)C(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C16H14N2O/c1-3-9-18(2)16(19)15-10-14(11-17-12-15)13-7-5-4-6-8-13/h1,4-8,10-12H,9H2,2H3
InChIKeyJEUJBYSCBGJSRI-UHFFFAOYSA-N
XLogP2.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide
CID 109468089
N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 122137867
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
N,1-dimethyl-3-phenyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 99832496
N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide
CID 119657225
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119552362
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119552361
5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 163341505
N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
CID 95617225
5-phenyl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119824704
N,N-dimethyl-4-(5-phenylpyridine-3-carbonyl)piperazine-1-carboxamide
CID 71920561
N,5-diphenylpyridine-3-carboxamide
CID 110683714

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide (CID 99832245) is N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide is C#CCN(C)C(=O)c1cncc(-c2ccccc2)c1.
What is the InChIKey of N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is JEUJBYSCBGJSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-3-9-18(2)16(19)15-10-14(11-17-12-15)13-7-5-4-6-8-13/h1,4-8,10-12H,9H2,2H3.
What are the key properties of N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide?
N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 99832245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).