N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

C15H20N2O2 — CID 66484230

IUPACN-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1ccncc1C#CCO
InChIInChI=1S/C15H20N2O2/c1-3-4-6-12(2)17-15(19)14-8-9-16-11-13(14)7-5-10-18/h8-9,11-12,18H,3-4,6,10H2,1-2H3,(H,17,19)
InChIKeyJROPWWBECUVFAP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.73
Rot. Bonds5

About N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (PubChem CID 66484230) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
PubChem CID66484230
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1ccncc1C#CCO
InChIInChI=1S/C15H20N2O2/c1-3-4-6-12(2)17-15(19)14-8-9-16-11-13(14)7-5-10-18/h8-9,11-12,18H,3-4,6,10H2,1-2H3,(H,17,19)
InChIKeyJROPWWBECUVFAP-UHFFFAOYSA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484582
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 103113261
N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66483246
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
N-(4-ethylphenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482247
3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 105069105
3-fluoro-N-hexan-2-yl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62200463
N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
CID 81240356
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 66482656
3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66482472
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 83112396

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (CID 66484230) is N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is CCCCC(C)NC(=O)c1ccncc1C#CCO.
What is the InChIKey of N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The InChIKey is JROPWWBECUVFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-6-12(2)17-15(19)14-8-9-16-11-13(14)7-5-10-18/h8-9,11-12,18H,3-4,6,10H2,1-2H3,(H,17,19).
What are the key properties of N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 66484230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).