N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide

C14H16N2O — CID 115532611

IUPACN-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1cccc(C)n1
InChIInChI=1S/C14H16N2O/c1-3-9-16(10-12-7-8-12)14(17)13-6-4-5-11(2)15-13/h1,4-6,12H,7-10H2,2H3
InChIKeyDTEIVAICUCRBHP-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.88
Rot. Bonds4

About N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide

N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide (PubChem CID 115532611) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide
PubChem CID115532611
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1cccc(C)n1
InChIInChI=1S/C14H16N2O/c1-3-9-16(10-12-7-8-12)14(17)13-6-4-5-11(2)15-13/h1,4-6,12H,7-10H2,2H3
InChIKeyDTEIVAICUCRBHP-UHFFFAOYSA-N
XLogP1.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
CID 115532787
N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532487
N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532676
N-(cyclopropylmethyl)-2-methyl-3-nitro-N-prop-2-ynylbenzamide
CID 115532484
N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 115532694
N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide
CID 115532708
4-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 115532633
3-bromo-N-(cyclopropylmethyl)-4-methyl-N-prop-2-ynylbenzamide
CID 113330065
6-amino-N-(cyclopropylmethyl)-N-ethylpyridine-2-carboxamide
CID 63940117
2-chloro-N-(cyclopropylmethyl)-N-prop-2-ynyl-5-sulfanylbenzamide
CID 107033410
N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 113330085
6-methyl-N-(piperidin-3-ylmethyl)-N-propylpyridine-2-carboxamide
CID 106628314

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide (CID 115532611) is N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide is C#CCN(CC1CC1)C(=O)c1cccc(C)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide?
The InChIKey is DTEIVAICUCRBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-9-16(10-12-7-8-12)14(17)13-6-4-5-11(2)15-13/h1,4-6,12H,7-10H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide?
N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide is sourced from PubChem (CID 115532611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).