N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide

C21H21N3O2 — CID 715271

IUPACN-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2NCCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-18-11-9-17(10-12-18)24-21(25)19-8-5-14-22-20(19)23-15-13-16-6-3-2-4-7-16/h2-12,14H,13,15H2,1H3,(H,22,23)(H,24,25)
InChIKeyJKISRGBCRDYCGT-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.00
Rot. Bonds7

About N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide

N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide (PubChem CID 715271) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide
PubChem CID715271
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2NCCc2ccccc2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-18-11-9-17(10-12-18)24-21(25)19-8-5-14-22-20(19)23-15-13-16-6-3-2-4-7-16/h2-12,14H,13,15H2,1H3,(H,22,23)(H,24,25)
InChIKeyJKISRGBCRDYCGT-UHFFFAOYSA-N
XLogP4.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide (CID 715271) is N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2NCCc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is JKISRGBCRDYCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-18-11-9-17(10-12-18)24-21(25)19-8-5-14-22-20(19)23-15-13-16-6-3-2-4-7-16/h2-12,14H,13,15H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide?
N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 715271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).