N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C20H20N4O — CID 109191597

IUPACN-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C20H20N4O/c25-20(22-13-10-16-4-2-1-3-5-16)19-7-6-18(15-24-19)23-14-17-8-11-21-12-9-17/h1-9,11-12,15,23H,10,13-14H2,(H,22,25)
InChIKeyZZTOAJYXAILMMM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.06
Rot. Bonds7

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

N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191597) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191597
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NCc2ccncc2)cn1
InChIInChI=1S/C20H20N4O/c25-20(22-13-10-16-4-2-1-3-5-16)19-7-6-18(15-24-19)23-14-17-8-11-21-12-9-17/h1-9,11-12,15,23H,10,13-14H2,(H,22,25)
InChIKeyZZTOAJYXAILMMM-UHFFFAOYSA-N
XLogP3.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213383
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
5-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 104640377
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
N-(2-methylpropyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109181042
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109191597) is N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1ccc(NCc2ccncc2)cn1.
What is the InChIKey of N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is ZZTOAJYXAILMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(22-13-10-16-4-2-1-3-5-16)19-7-6-18(15-24-19)23-14-17-8-11-21-12-9-17/h1-9,11-12,15,23H,10,13-14H2,(H,22,25).
What are the key properties of N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).