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

C20H20N4O — CID 109213383

IUPACN-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NCc2ccncc2)ccn1
InChIInChI=1S/C20H20N4O/c25-20(23-12-8-16-4-2-1-3-5-16)19-14-18(9-13-22-19)24-15-17-6-10-21-11-7-17/h1-7,9-11,13-14H,8,12,15H2,(H,22,24)(H,23,25)
InChIKeyOTCSHDMRLPJHCC-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.06
Rot. Bonds7

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

N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109213383) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109213383
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NCc2ccncc2)ccn1
InChIInChI=1S/C20H20N4O/c25-20(23-12-8-16-4-2-1-3-5-16)19-14-18(9-13-22-19)24-15-17-6-10-21-11-7-17/h1-7,9-11,13-14H,8,12,15H2,(H,22,24)(H,23,25)
InChIKeyOTCSHDMRLPJHCC-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-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191597
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202307
N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213415
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212418
4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109209769
4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213605
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209829
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109213383) is N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1cc(NCc2ccncc2)ccn1.
What is the InChIKey of N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is OTCSHDMRLPJHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(23-12-8-16-4-2-1-3-5-16)19-14-18(9-13-22-19)24-15-17-6-10-21-11-7-17/h1-7,9-11,13-14H,8,12,15H2,(H,22,24)(H,23,25).
What are the key properties of N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-(2-phenylethyl)-4-(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)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).