N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide

C21H21N3O — CID 109213670

IUPACN-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCN(C(=O)c1cc(NCCc2ccccc2)ccn1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-24(19-10-6-3-7-11-19)21(25)20-16-18(13-15-23-20)22-14-12-17-8-4-2-5-9-17/h2-11,13,15-16H,12,14H2,1H3,(H,22,23)
InChIKeyOOFVFJHRPJZKLQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.01
Rot. Bonds6

About N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide

N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109213670) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
PubChem CID109213670
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCN(C(=O)c1cc(NCCc2ccccc2)ccn1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-24(19-10-6-3-7-11-19)21(25)20-16-18(13-15-23-20)22-14-12-17-8-4-2-5-9-17/h2-11,13,15-16H,12,14H2,1H3,(H,22,23)
InChIKeyOOFVFJHRPJZKLQ-UHFFFAOYSA-N
XLogP4.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213681
N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 60704743
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109193694
N-benzyl-4-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 109210893
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109210644
N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109203268
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 109210892
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide (CID 109213670) is N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide is CN(C(=O)c1cc(NCCc2ccccc2)ccn1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is OOFVFJHRPJZKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-24(19-10-6-3-7-11-19)21(25)20-16-18(13-15-23-20)22-14-12-17-8-4-2-5-9-17/h2-11,13,15-16H,12,14H2,1H3,(H,22,23).
What are the key properties of N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide?
N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).