N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide

C20H19N5O2 — CID 109171770

IUPACN-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-16-5-7-17(8-6-16)25-20(27)15-9-11-22-19(12-15)23-13-18-4-2-3-10-21-18/h2-12H,13H2,1H3,(H,22,23)(H,24,26)(H,25,27)
InChIKeySKEWUHFOKZMEOF-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.30
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide

N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109171770) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
PubChem CID109171770
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-16-5-7-17(8-6-16)25-20(27)15-9-11-22-19(12-15)23-13-18-4-2-3-10-21-18/h2-12H,13H2,1H3,(H,22,23)(H,24,26)(H,25,27)
InChIKeySKEWUHFOKZMEOF-UHFFFAOYSA-N
XLogP3.30
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171748
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171792
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171760
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171786
N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171754
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170839
N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170520
N-(3-acetamidophenyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109170025
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191121
4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
N-(4-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170825

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide (CID 109171770) is N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccnc(NCc3ccccn3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is SKEWUHFOKZMEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)24-16-5-7-17(8-6-16)25-20(27)15-9-11-22-19(12-15)23-13-18-4-2-3-10-21-18/h2-12H,13H2,1H3,(H,22,23)(H,24,26)(H,25,27).
What are the key properties of N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109171770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).