4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide

C23H25N3O — CID 109212580

IUPAC4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-2-26(18-20-11-7-4-8-12-20)21-14-16-24-22(17-21)23(27)25-15-13-19-9-5-3-6-10-19/h3-12,14,16-17H,2,13,15,18H2,1H3,(H,25,27)
InChIKeyZWUMHMVJJZMGGT-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.08
Rot. Bonds8

About 4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide

4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109212580) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109212580
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-2-26(18-20-11-7-4-8-12-20)21-14-16-24-22(17-21)23(27)25-15-13-19-9-5-3-6-10-19/h3-12,14,16-17H,2,13,15,18H2,1H3,(H,25,27)
InChIKeyZWUMHMVJJZMGGT-UHFFFAOYSA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201321
4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210168
4-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109204016
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109212597
4-[benzyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109212665
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212657
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212643
4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109212580) is 4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide is CCN(Cc1ccccc1)c1ccnc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is ZWUMHMVJJZMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-26(18-20-11-7-4-8-12-20)21-14-16-24-22(17-21)23(27)25-15-13-19-9-5-3-6-10-19/h3-12,14,16-17H,2,13,15,18H2,1H3,(H,25,27).
What are the key properties of 4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide?
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).