N-(propan-2-yloxymethyl)pyridine-3-carboxamide

C10H14N2O2 — CID 3794279

IUPACN-(propan-2-yloxymethyl)pyridine-3-carboxamide
SMILESCC(C)OCNC(=O)c1cccnc1
InChIInChI=1S/C10H14N2O2/c1-8(2)14-7-12-10(13)9-4-3-5-11-6-9/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyAPROEOHYISEYGW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.19
Rot. Bonds4

About N-(propan-2-yloxymethyl)pyridine-3-carboxamide

N-(propan-2-yloxymethyl)pyridine-3-carboxamide (PubChem CID 3794279) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-(propan-2-yloxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(propan-2-yloxymethyl)pyridine-3-carboxamide
PubChem CID3794279
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-(propan-2-yloxymethyl)pyridine-3-carboxamide
SMILESCC(C)OCNC(=O)c1cccnc1
InChIInChI=1S/C10H14N2O2/c1-8(2)14-7-12-10(13)9-4-3-5-11-6-9/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyAPROEOHYISEYGW-UHFFFAOYSA-N
XLogP1.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
3-methylbutan-2-yl 2-(pyridine-3-carbonylamino)acetate
CID 171414103
(pyridine-3-carbonylamino)methyl butanoate
CID 138705851
N-propan-2-yloxypyridine-3-carboxamide;hydrochloride
CID 3028390
N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide
CID 96538610
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
phenyl (2S,3R)-3-hydroxy-2-[(pyridine-3-carbonylamino)methyl]butanoate
CID 164711213
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide
CID 110705497
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-yloxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-(propan-2-yloxymethyl)pyridine-3-carboxamide (CID 3794279) is N-(propan-2-yloxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(propan-2-yloxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(propan-2-yloxymethyl)pyridine-3-carboxamide is CC(C)OCNC(=O)c1cccnc1.
What is the InChIKey of N-(propan-2-yloxymethyl)pyridine-3-carboxamide?
The InChIKey is APROEOHYISEYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(2)14-7-12-10(13)9-4-3-5-11-6-9/h3-6,8H,7H2,1-2H3,(H,12,13).
What are the key properties of N-(propan-2-yloxymethyl)pyridine-3-carboxamide?
N-(propan-2-yloxymethyl)pyridine-3-carboxamide has a molecular weight of 194.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-yloxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3794279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).