N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C20H18N4O2 — CID 109191691

IUPACN-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NCc3ccncc3)cn2)c1
InChIInChI=1S/C20H18N4O2/c1-14(25)16-3-2-4-17(11-16)24-20(26)19-6-5-18(13-23-19)22-12-15-7-9-21-10-8-15/h2-11,13,22H,12H2,1H3,(H,24,26)
InChIKeyQPLAGWUGWFQPJA-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.54
Rot. Bonds6

About N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191691) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191691
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(NCc3ccncc3)cn2)c1
InChIInChI=1S/C20H18N4O2/c1-14(25)16-3-2-4-17(11-16)24-20(26)19-6-5-18(13-23-19)22-12-15-7-9-21-10-8-15/h2-11,13,22H,12H2,1H3,(H,24,26)
InChIKeyQPLAGWUGWFQPJA-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-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131
N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191648
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
N-(3-acetylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195666
N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211919
5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
CID 109188098
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109282153
N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235727
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109191691) is N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(NCc3ccncc3)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is QPLAGWUGWFQPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14(25)16-3-2-4-17(11-16)24-20(26)19-6-5-18(13-23-19)22-12-15-7-9-21-10-8-15/h2-11,13,22H,12H2,1H3,(H,24,26).
What are the key properties of N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-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-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).