N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide

C21H21N3O — CID 109231634

IUPACN-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1cncc(C(=O)NCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-16(18-10-6-3-7-11-18)24-20-12-19(14-22-15-20)21(25)23-13-17-8-4-2-5-9-17/h2-12,14-16,24H,13H2,1H3,(H,23,25)
InChIKeyKHVQZNYJADQCQD-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.18
Rot. Bonds6

About N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide

N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109231634) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID109231634
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1cncc(C(=O)NCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-16(18-10-6-3-7-11-18)24-20-12-19(14-22-15-20)21(25)23-13-17-8-4-2-5-9-17/h2-12,14-16,24H,13H2,1H3,(H,23,25)
InChIKeyKHVQZNYJADQCQD-UHFFFAOYSA-N
XLogP4.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232883
N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109227650
N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109229099
N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232942
5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105346
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109231733
N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232761
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide (CID 109231634) is N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide is CC(Nc1cncc(C(=O)NCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is KHVQZNYJADQCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-16(18-10-6-3-7-11-18)24-20-12-19(14-22-15-20)21(25)23-13-17-8-4-2-5-9-17/h2-12,14-16,24H,13H2,1H3,(H,23,25).
What are the key properties of N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide?
N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109231634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).