N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C20H18N4O2 — CID 109235727

IUPACN-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)cc1
InChIInChI=1S/C20H18N4O2/c1-14(25)16-2-4-18(5-3-16)24-20(26)17-10-19(13-22-12-17)23-11-15-6-8-21-9-7-15/h2-10,12-13,23H,11H2,1H3,(H,24,26)
InChIKeyLTUDSQMNZKPDPG-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.54
Rot. Bonds6

About N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235727) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235727
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)cc1
InChIInChI=1S/C20H18N4O2/c1-14(25)16-2-4-18(5-3-16)24-20(26)17-10-19(13-22-12-17)23-11-15-6-8-21-9-7-15/h2-10,12-13,23H,11H2,1H3,(H,24,26)
InChIKeyLTUDSQMNZKPDPG-UHFFFAOYSA-N
XLogP3.54
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
N-(3-chloro-4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235706
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235741
N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239442
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
N-(4-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyridine-3-carboxamide
CID 109237870
methyl 4-[[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109234145
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
5-(benzylamino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 109231882

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 109235727) is N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is LTUDSQMNZKPDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14(25)16-2-4-18(5-3-16)24-20(26)17-10-19(13-22-12-17)23-11-15-6-8-21-9-7-15/h2-10,12-13,23H,11H2,1H3,(H,24,26).
What are the key properties of N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).