3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide

C10H13IN2O2 — CID 106846051

IUPAC3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
SMILESO=C(NCCCCI)c1ccncc1O
InChIInChI=1S/C10H13IN2O2/c11-4-1-2-5-13-10(15)8-3-6-12-7-9(8)14/h3,6-7,14H,1-2,4-5H2,(H,13,15)
InChIKeyZPYLMKLPOBKERX-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.73
Rot. Bonds5

About 3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide

3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide (PubChem CID 106846051) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is 3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
PubChem CID106846051
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
SMILESO=C(NCCCCI)c1ccncc1O
InChIInChI=1S/C10H13IN2O2/c11-4-1-2-5-13-10(15)8-3-6-12-7-9(8)14/h3,6-7,14H,1-2,4-5H2,(H,13,15)
InChIKeyZPYLMKLPOBKERX-UHFFFAOYSA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.73
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide
CID 174671869
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-[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
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide (CID 106846051) is 3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide is O=C(NCCCCI)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide?
The InChIKey is ZPYLMKLPOBKERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2/c11-4-1-2-5-13-10(15)8-3-6-12-7-9(8)14/h3,6-7,14H,1-2,4-5H2,(H,13,15).
What are the key properties of 3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide?
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide has a molecular weight of 320.13 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 3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide is sourced from PubChem (CID 106846051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).