5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide

C21H18N4O3 — CID 109106065

IUPAC5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncc(C(=O)NCc3cccnc3)c2)c1
InChIInChI=1S/C21H18N4O3/c1-14(26)16-5-2-6-19(9-16)25-21(28)18-8-17(12-23-13-18)20(27)24-11-15-4-3-7-22-10-15/h2-10,12-13H,11H2,1H3,(H,24,27)(H,25,28)
InChIKeyNMOMPWCVIDLZRO-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.86
Rot. Bonds6

About 5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide

5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109106065) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109106065
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncc(C(=O)NCc3cccnc3)c2)c1
InChIInChI=1S/C21H18N4O3/c1-14(26)16-5-2-6-19(9-16)25-21(28)18-8-17(12-23-13-18)20(27)24-11-15-4-3-7-22-10-15/h2-10,12-13H,11H2,1H3,(H,24,27)(H,25,28)
InChIKeyNMOMPWCVIDLZRO-UHFFFAOYSA-N
XLogP2.86
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
1-(3-acetylphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 970859
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106049
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
5-N-(2,6-difluorophenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106084
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109106036

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide (CID 109106065) is 5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cncc(C(=O)NCc3cccnc3)c2)c1.
What is the InChIKey of 5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is NMOMPWCVIDLZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14(26)16-5-2-6-19(9-16)25-21(28)18-8-17(12-23-13-18)20(27)24-11-15-4-3-7-22-10-15/h2-10,12-13H,11H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).