5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

C21H21N3O — CID 109235813

IUPAC5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1cncc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-24(19-10-6-3-7-11-19)20-14-18(15-22-16-20)21(25)23-13-12-17-8-4-2-5-9-17/h2-11,14-16H,12-13H2,1H3,(H,23,25)
InChIKeyWBLUVLWIGHHSOL-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.82
Rot. Bonds6

About 5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 109235813) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID109235813
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCN(c1ccccc1)c1cncc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-24(19-10-6-3-7-11-19)20-14-18(15-22-16-20)21(25)23-13-12-17-8-4-2-5-9-17/h2-11,14-16H,12-13H2,1H3,(H,23,25)
InChIKeyWBLUVLWIGHHSOL-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101366
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
5-N-(1-phenylethyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105347
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
5-(2-fluorophenyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 46033116
5-(N-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283821
5-N-(2-fluorophenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106222
5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
CID 109224497

Frequently Asked Questions

What is the IUPAC name of 5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 109235813) is 5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is CN(c1ccccc1)c1cncc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is WBLUVLWIGHHSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-24(19-10-6-3-7-11-19)20-14-18(15-22-16-20)21(25)23-13-12-17-8-4-2-5-9-17/h2-11,14-16H,12-13H2,1H3,(H,23,25).
What are the key properties of 5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).