N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide

C21H21N3O2 — CID 109210827

IUPACN-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(NC(C)c2ccccc2)ccn1
InChIInChI=1S/C21H21N3O2/c1-15(16-8-4-3-5-9-16)23-17-12-13-22-19(14-17)21(25)24-18-10-6-7-11-20(18)26-2/h3-15H,1-2H3,(H,22,23)(H,24,25)
InChIKeyKRTZHBZEGRAJJZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.52
Rot. Bonds6

About N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide

N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109210827) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
PubChem CID109210827
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(NC(C)c2ccccc2)ccn1
InChIInChI=1S/C21H21N3O2/c1-15(16-8-4-3-5-9-16)23-17-12-13-22-19(14-17)21(25)24-18-10-6-7-11-20(18)26-2/h3-15H,1-2H3,(H,22,23)(H,24,25)
InChIKeyKRTZHBZEGRAJJZ-UHFFFAOYSA-N
XLogP4.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210797
N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304794
N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210755
4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109210872
N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210807
N-(4-acetylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210842
N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210831
N-(2-methoxyphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219451
N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304802
4-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730044
N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210753
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide (CID 109210827) is N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide is COc1ccccc1NC(=O)c1cc(NC(C)c2ccccc2)ccn1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is KRTZHBZEGRAJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15(16-8-4-3-5-9-16)23-17-12-13-22-19(14-17)21(25)24-18-10-6-7-11-20(18)26-2/h3-15H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109210827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).