N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C20H20N4O — CID 109158018

IUPACN-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C20H20N4O/c25-20(22-13-10-16-4-2-1-3-5-16)18-6-7-19(24-15-18)23-14-17-8-11-21-12-9-17/h1-9,11-12,15H,10,13-14H2,(H,22,25)(H,23,24)
InChIKeyGCQJNSWMINUHAI-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.06
Rot. Bonds7

About N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109158018) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID109158018
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C20H20N4O/c25-20(22-13-10-16-4-2-1-3-5-16)18-6-7-19(24-15-18)23-14-17-8-11-21-12-9-17/h1-9,11-12,15H,10,13-14H2,(H,22,25)(H,23,24)
InChIKeyGCQJNSWMINUHAI-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

6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
N-(2-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191597
N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231352
6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158114
N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109157669

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 109158018) is N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(NCc2ccncc2)nc1.
What is the InChIKey of N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is GCQJNSWMINUHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(22-13-10-16-4-2-1-3-5-16)18-6-7-19(24-15-18)23-14-17-8-11-21-12-9-17/h1-9,11-12,15H,10,13-14H2,(H,22,25)(H,23,24).
What are the key properties of N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-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)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109158018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).