N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C21H22N4O — CID 109190700

IUPACN-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C21H22N4O/c1-2-25(16-17-8-4-3-5-9-17)21(26)20-12-11-19(15-24-20)23-14-18-10-6-7-13-22-18/h3-13,15,23H,2,14,16H2,1H3
InChIKeyPGDUYSJQMNUHAT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.75
Rot. Bonds7

About N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109190700) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109190700
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C21H22N4O/c1-2-25(16-17-8-4-3-5-9-17)21(26)20-12-11-19(15-24-20)23-14-18-10-6-7-13-22-18/h3-13,15,23H,2,14,16H2,1H3
InChIKeyPGDUYSJQMNUHAT-UHFFFAOYSA-N
XLogP3.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
CID 109190719
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
N-benzyl-N-ethyl-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109190707
N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide
CID 109190728
5-amino-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81316352
N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191623
N-benzyl-N-ethyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109190788
N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191023
N-benzyl-N-ethyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109190713
N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109212489
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109190700) is N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(NCc2ccccn2)cn1.
What is the InChIKey of N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is PGDUYSJQMNUHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-25(16-17-8-4-3-5-9-17)21(26)20-12-11-19(15-24-20)23-14-18-10-6-7-13-22-18/h3-13,15,23H,2,14,16H2,1H3.
What are the key properties of N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109190700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).