5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide

C21H21N3O — CID 109188045

IUPAC5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(NCc2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-2-24(19-11-7-4-8-12-19)21(25)20-14-13-18(16-23-20)22-15-17-9-5-3-6-10-17/h3-14,16,22H,2,15H2,1H3
InChIKeyBFGWKIGHZNQWMG-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.36
Rot. Bonds6

About 5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide

5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide (PubChem CID 109188045) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
PubChem CID109188045
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(NCc2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-2-24(19-11-7-4-8-12-19)21(25)20-14-13-18(16-23-20)22-15-17-9-5-3-6-10-17/h3-14,16,22H,2,15H2,1H3
InChIKeyBFGWKIGHZNQWMG-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide
CID 109195842
N-ethyl-N-phenyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189023
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198507
N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
N-ethyl-5-[(4-methoxyphenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109190548
5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109195372
N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191642
5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198518
5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109282125
5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198506
5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109188090

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide (CID 109188045) is 5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide is CCN(C(=O)c1ccc(NCc2ccccc2)cn1)c1ccccc1.
What is the InChIKey of 5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The InChIKey is BFGWKIGHZNQWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-24(19-11-7-4-8-12-19)21(25)20-14-13-18(16-23-20)22-15-17-9-5-3-6-10-17/h3-14,16,22H,2,15H2,1H3.
What are the key properties of 5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide?
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109188045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).