N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide

C11H12N2O — CID 114390011

IUPACN-but-3-yn-2-yl-5-methylpyridine-3-carboxamide
SMILESC#CC(C)NC(=O)c1cncc(C)c1
InChIInChI=1S/C11H12N2O/c1-4-9(3)13-11(14)10-5-8(2)6-12-7-10/h1,5-7,9H,2-3H3,(H,13,14)
InChIKeyPQYLYWAVBWRRLC-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.14
Rot. Bonds2

About N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide

N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide (PubChem CID 114390011) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-5-methylpyridine-3-carboxamide
PubChem CID114390011
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-but-3-yn-2-yl-5-methylpyridine-3-carboxamide
SMILESC#CC(C)NC(=O)c1cncc(C)c1
InChIInChI=1S/C11H12N2O/c1-4-9(3)13-11(14)10-5-8(2)6-12-7-10/h1,5-7,9H,2-3H3,(H,13,14)
InChIKeyPQYLYWAVBWRRLC-UHFFFAOYSA-N
XLogP1.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide
CID 103529100
N-but-3-yn-2-yl-3-chloro-5-methylbenzamide
CID 114389858
5-methyl-N-[(2S)-4-oxopentan-2-yl]pyridine-3-carboxamide
CID 164641680
N-(1-iodo-3-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 107859937
N-but-3-yn-2-yl-5-methylfuran-3-carboxamide
CID 114822800
N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-5-methylpyridine-3-carboxamide
CID 97247851
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide
CID 97247823
(2R)-2-[(5-methylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906391
N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide
CID 113274774
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide (CID 114390011) is N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide is C#CC(C)NC(=O)c1cncc(C)c1.
What is the InChIKey of N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide?
The InChIKey is PQYLYWAVBWRRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-4-9(3)13-11(14)10-5-8(2)6-12-7-10/h1,5-7,9H,2-3H3,(H,13,14).
What are the key properties of N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide?
N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide has a molecular weight of 188.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 114390011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).