N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide

C12H18N2O3 — CID 109399314

IUPACN-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide
SMILESCC(O)CNC(=O)c1cccc(OC(C)C)n1
InChIInChI=1S/C12H18N2O3/c1-8(2)17-11-6-4-5-10(14-11)12(16)13-7-9(3)15/h4-6,8-9,15H,7H2,1-3H3,(H,13,16)
InChIKeyKXZWFMSRSKIHGA-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.98
Rot. Bonds5

About N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide

N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide (PubChem CID 109399314) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide
PubChem CID109399314
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide
SMILESCC(O)CNC(=O)c1cccc(OC(C)C)n1
InChIInChI=1S/C12H18N2O3/c1-8(2)17-11-6-4-5-10(14-11)12(16)13-7-9(3)15/h4-6,8-9,15H,7H2,1-3H3,(H,13,16)
InChIKeyKXZWFMSRSKIHGA-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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Related Compounds

3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120515163
5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527206
3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
CID 120520770
2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528974
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
3-[ethyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120516584
2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120520363
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
(E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120693484
N-(2-hydroxypropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575059
2-methyl-3-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
CID 120525800
6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094492

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide (CID 109399314) is N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide is CC(O)CNC(=O)c1cccc(OC(C)C)n1.
What is the InChIKey of N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide?
The InChIKey is KXZWFMSRSKIHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)17-11-6-4-5-10(14-11)12(16)13-7-9(3)15/h4-6,8-9,15H,7H2,1-3H3,(H,13,16).
What are the key properties of N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide?
N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-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-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide is sourced from PubChem (CID 109399314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).