3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide

C16H18N2O2 — CID 4552071

IUPAC3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)Oc1cccc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H18N2O2/c1-12(2)20-15-7-3-6-14(9-15)16(19)18-11-13-5-4-8-17-10-13/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKeyNCRWCZADRTXAPI-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.80
Rot. Bonds5

About 3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide

3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 4552071) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID4552071
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)Oc1cccc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H18N2O2/c1-12(2)20-15-7-3-6-14(9-15)16(19)18-11-13-5-4-8-17-10-13/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKeyNCRWCZADRTXAPI-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
CID 53138000
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213043
2-N-(2-propan-2-yloxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087376
3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 71830494
2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 171388806
1-N-(pyridin-1-ium-3-ylmethyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 3619062

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide (CID 4552071) is 3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide is CC(C)Oc1cccc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NCRWCZADRTXAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12(2)20-15-7-3-6-14(9-15)16(19)18-11-13-5-4-8-17-10-13/h3-10,12H,11H2,1-2H3,(H,18,19).
What are the key properties of 3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide?
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 4552071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).