N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide

C15H20N2O2 — CID 66483431

IUPACN-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide
SMILESCCC(C)N(C)C(=O)c1ccncc1C#CCCO
InChIInChI=1S/C15H20N2O2/c1-4-12(2)17(3)15(19)14-8-9-16-11-13(14)7-5-6-10-18/h8-9,11-12,18H,4,6,10H2,1-3H3
InChIKeySCBSLFJEGLWRPC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.69
Rot. Bonds4

About N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide

N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide (PubChem CID 66483431) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide
PubChem CID66483431
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide
SMILESCCC(C)N(C)C(=O)c1ccncc1C#CCCO
InChIInChI=1S/C15H20N2O2/c1-4-12(2)17(3)15(19)14-8-9-16-11-13(14)7-5-6-10-18/h8-9,11-12,18H,4,6,10H2,1-3H3
InChIKeySCBSLFJEGLWRPC-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-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

3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 66484600
N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66484764
3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 66484592
3-(3-aminoprop-1-ynyl)-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104553614
3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide
CID 66483410
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66482459
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 103103852
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66482048
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484406
3-(4-hydroxybut-1-ynyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482883
2-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-2-ylbenzamide
CID 60817182
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 66482656

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide (CID 66483431) is N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide is CCC(C)N(C)C(=O)c1ccncc1C#CCCO.
What is the InChIKey of N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide?
The InChIKey is SCBSLFJEGLWRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-12(2)17(3)15(19)14-8-9-16-11-13(14)7-5-6-10-18/h8-9,11-12,18H,4,6,10H2,1-3H3.
What are the key properties of N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide?
N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66483431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).