N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C20H20N4O — CID 109232761

IUPACN-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(NCc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15(17-5-3-2-4-6-17)24-20(25)18-11-19(14-22-13-18)23-12-16-7-9-21-10-8-16/h2-11,13-15,23H,12H2,1H3,(H,24,25)
InChIKeyPJXJSFUEYRUZEM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.58
Rot. Bonds6

About N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109232761) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID109232761
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(NCc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15(17-5-3-2-4-6-17)24-20(25)18-11-19(14-22-13-18)23-12-16-7-9-21-10-8-16/h2-11,13-15,23H,12H2,1H3,(H,24,25)
InChIKeyPJXJSFUEYRUZEM-UHFFFAOYSA-N
XLogP3.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105346
5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232350
5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232774
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109231634
5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232823
5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232865
5-(4-bromoanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232831
N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109347642
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
3-N-(4-ethylphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105379

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 109232761) is N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is CC(NC(=O)c1cncc(NCc2ccncc2)c1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is PJXJSFUEYRUZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15(17-5-3-2-4-6-17)24-20(25)18-11-19(14-22-13-18)23-12-16-7-9-21-10-8-16/h2-11,13-15,23H,12H2,1H3,(H,24,25).
What are the key properties of N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109232761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).