4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide

C19H20N2O3 — CID 146818121

IUPAC4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cc(Cc2cccc(O)c2)n1
InChIInChI=1S/C19H20N2O3/c1-20-19(24)17-11-14(18(23)9-12-5-6-12)10-15(21-17)7-13-3-2-4-16(22)8-13/h2-4,8,10-12,22H,5-7,9H2,1H3,(H,20,24)
InChIKeySBMVCMKMWIATMT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.72
Rot. Bonds6

About 4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide

4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 146818121) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID146818121
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cc(Cc2cccc(O)c2)n1
InChIInChI=1S/C19H20N2O3/c1-20-19(24)17-11-14(18(23)9-12-5-6-12)10-15(21-17)7-13-3-2-4-16(22)8-13/h2-4,8,10-12,22H,5-7,9H2,1H3,(H,20,24)
InChIKeySBMVCMKMWIATMT-UHFFFAOYSA-N
XLogP2.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide (CID 146818121) is 4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(C(=O)CC2CC2)cc(Cc2cccc(O)c2)n1.
What is the InChIKey of 4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is SBMVCMKMWIATMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20-19(24)17-11-14(18(23)9-12-5-6-12)10-15(21-17)7-13-3-2-4-16(22)8-13/h2-4,8,10-12,22H,5-7,9H2,1H3,(H,20,24).
What are the key properties of 4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 146818121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).