N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide

C9H11ClN2O2 — CID 114293613

IUPACN-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCCCl)c1ccncc1O
InChIInChI=1S/C9H11ClN2O2/c10-3-1-4-12-9(14)7-2-5-11-6-8(7)13/h2,5-6,13H,1,3-4H2,(H,12,14)
InChIKeySPMIHQNCLREGRX-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.15
Rot. Bonds4

About N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide

N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 114293613) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
PubChem CID114293613
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC NameN-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCCCl)c1ccncc1O
InChIInChI=1S/C9H11ClN2O2/c10-3-1-4-12-9(14)7-2-5-11-6-8(7)13/h2,5-6,13H,1,3-4H2,(H,12,14)
InChIKeySPMIHQNCLREGRX-UHFFFAOYSA-N
XLogP1.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 106307388
N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide
CID 81443542
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 114758192
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432
N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 103741684
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
CID 103762370

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide (CID 114293613) is N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide is O=C(NCCCCl)c1ccncc1O.
What is the InChIKey of N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is SPMIHQNCLREGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-3-1-4-12-9(14)7-2-5-11-6-8(7)13/h2,5-6,13H,1,3-4H2,(H,12,14).
What are the key properties of N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide?
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 214.65 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 114293613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).