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N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide

C12H18N2O3 — CID 113376564

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC(C)CC(C)O
InChIInChI=1S/C12H18N2O3/c1-8(7-9(2)15)14-11(16)10-5-4-6-13-12(10)17-3/h4-6,8-9,15H,7H2,1-3H3,(H,14,16)
InChIKeyQOCKUXKDQXMVPR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.98
Rot. Bonds5

About N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide

N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide (PubChem CID 113376564) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
PubChem CID113376564
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC(C)CC(C)O
InChIInChI=1S/C12H18N2O3/c1-8(7-9(2)15)14-11(16)10-5-4-6-13-12(10)17-3/h4-6,8-9,15H,7H2,1-3H3,(H,14,16)
InChIKeyQOCKUXKDQXMVPR-UHFFFAOYSA-N
XLogP0.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide (CID 113376564) is N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NC(C)CC(C)O.
What is the InChIKey of N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide?
The InChIKey is QOCKUXKDQXMVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(7-9(2)15)14-11(16)10-5-4-6-13-12(10)17-3/h4-6,8-9,15H,7H2,1-3H3,(H,14,16).
What are the key properties of N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide?
N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 113376564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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