2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

C19H22N4O3 — CID 109079698

IUPAC2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C(=O)NCC(C)C)ccn2)c1
InChIInChI=1S/C19H22N4O3/c1-12(2)11-21-18(25)14-7-8-20-17(9-14)19(26)23-16-6-4-5-15(10-16)22-13(3)24/h4-10,12H,11H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyNERPSKHTWZCHHW-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.68
Rot. Bonds6

About 2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109079698) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109079698
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C(=O)NCC(C)C)ccn2)c1
InChIInChI=1S/C19H22N4O3/c1-12(2)11-21-18(25)14-7-8-20-17(9-14)19(26)23-16-6-4-5-15(10-16)22-13(3)24/h4-10,12H,11H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyNERPSKHTWZCHHW-UHFFFAOYSA-N
XLogP2.68
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079716
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090505
4-N-(3-acetamidophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088967
4-N-(4-acetamidophenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091241
4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079869
N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
CID 109203563
N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
CID 131898619
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079916
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079711

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (CID 109079698) is 2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(C(=O)NCC(C)C)ccn2)c1.
What is the InChIKey of 2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is NERPSKHTWZCHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)11-21-18(25)14-7-8-20-17(9-14)19(26)23-16-6-4-5-15(10-16)22-13(3)24/h4-10,12H,11H2,1-3H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of 2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).