4-(4-methyl-2-pyridinyl)-N-propylbenzamide

C16H18N2O — CID 59673771

IUPAC4-(4-methyl-2-pyridinyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-c2cc(C)ccn2)cc1
InChIInChI=1S/C16H18N2O/c1-3-9-18-16(19)14-6-4-13(5-7-14)15-11-12(2)8-10-17-15/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)
InChIKeyAGZZJAWULCGQPN-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.20
Rot. Bonds4

About 4-(4-methyl-2-pyridinyl)-N-propylbenzamide

4-(4-methyl-2-pyridinyl)-N-propylbenzamide (PubChem CID 59673771) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(4-methyl-2-pyridinyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-(4-methyl-2-pyridinyl)-N-propylbenzamide
PubChem CID59673771
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-(4-methyl-2-pyridinyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-c2cc(C)ccn2)cc1
InChIInChI=1S/C16H18N2O/c1-3-9-18-16(19)14-6-4-13(5-7-14)15-11-12(2)8-10-17-15/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)
InChIKeyAGZZJAWULCGQPN-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126444759
4-N-(2,4-dimethylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042965
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863
4-methyl-2-(4-prop-1-en-2-ylphenyl)pyridine
CID 143032130
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 50783837
4-methoxy-2-(4-methylphenyl)-N-propylquinoline-6-carboxamide
CID 46319104
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide
CID 11081863
[2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate
CID 122516202
N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035071

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyridinyl)-N-propylbenzamide?
The IUPAC name of 4-(4-methyl-2-pyridinyl)-N-propylbenzamide (CID 59673771) is 4-(4-methyl-2-pyridinyl)-N-propylbenzamide.
What is the SMILES notation for 4-(4-methyl-2-pyridinyl)-N-propylbenzamide?
The canonical SMILES for 4-(4-methyl-2-pyridinyl)-N-propylbenzamide is CCCNC(=O)c1ccc(-c2cc(C)ccn2)cc1.
What is the InChIKey of 4-(4-methyl-2-pyridinyl)-N-propylbenzamide?
The InChIKey is AGZZJAWULCGQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-9-18-16(19)14-6-4-13(5-7-14)15-11-12(2)8-10-17-15/h4-8,10-11H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-methyl-2-pyridinyl)-N-propylbenzamide?
4-(4-methyl-2-pyridinyl)-N-propylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-pyridinyl)-N-propylbenzamide is sourced from PubChem (CID 59673771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).