2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide

C17H27ClN2O2 — CID 19791110

IUPAC2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
SMILESO=C(NCCCCCCCCCCCO)c1cccnc1Cl
InChIInChI=1S/C17H27ClN2O2/c18-16-15(11-10-13-19-16)17(22)20-12-8-6-4-2-1-3-5-7-9-14-21/h10-11,13,21H,1-9,12,14H2,(H,20,22)
InChIKeyHCEIUCJMCGJVLB-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.97
Rot. Bonds12

About 2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide

2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide (PubChem CID 19791110) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
PubChem CID19791110
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
SMILESO=C(NCCCCCCCCCCCO)c1cccnc1Cl
InChIInChI=1S/C17H27ClN2O2/c18-16-15(11-10-13-19-16)17(22)20-12-8-6-4-2-1-3-5-7-9-14-21/h10-11,13,21H,1-9,12,14H2,(H,20,22)
InChIKeyHCEIUCJMCGJVLB-UHFFFAOYSA-N
XLogP3.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide (CID 19791110) is 2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide is O=C(NCCCCCCCCCCCO)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide?
The InChIKey is HCEIUCJMCGJVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O2/c18-16-15(11-10-13-19-16)17(22)20-12-8-6-4-2-1-3-5-7-9-14-21/h10-11,13,21H,1-9,12,14H2,(H,20,22).
What are the key properties of 2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide?
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide has a molecular weight of 326.87 g/mol, XLogP of 3.97, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide is sourced from PubChem (CID 19791110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).