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

C21H21N3O — CID 109210797

IUPACN-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(NC(C)c2ccccc2)ccn1
InChIInChI=1S/C21H21N3O/c1-15-8-6-7-11-19(15)24-21(25)20-14-18(12-13-22-20)23-16(2)17-9-4-3-5-10-17/h3-14,16H,1-2H3,(H,22,23)(H,24,25)
InChIKeyYPRGBLIMPJNCMT-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.82
Rot. Bonds5

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

N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109210797) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
PubChem CID109210797
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(NC(C)c2ccccc2)ccn1
InChIInChI=1S/C21H21N3O/c1-15-8-6-7-11-19(15)24-21(25)20-14-18(12-13-22-20)23-16(2)17-9-4-3-5-10-17/h3-14,16H,1-2H3,(H,22,23)(H,24,25)
InChIKeyYPRGBLIMPJNCMT-UHFFFAOYSA-N
XLogP4.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210807
N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210827
4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109210872
4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
N-(4-acetylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210842
N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210831
N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210753
N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201602
N-(2-tert-butylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201594
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
N-[2-(3-chlorophenyl)ethyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210794
4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109219027

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide (CID 109210797) is N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide is Cc1ccccc1NC(=O)c1cc(NC(C)c2ccccc2)ccn1.
What is the InChIKey of N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is YPRGBLIMPJNCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-8-6-7-11-19(15)24-21(25)20-14-18(12-13-22-20)23-16(2)17-9-4-3-5-10-17/h3-14,16H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109210797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).