N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

C21H22N4O — CID 109212489

IUPACN-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(NCc2cccnc2)ccn1
InChIInChI=1S/C21H22N4O/c1-2-25(16-17-7-4-3-5-8-17)21(26)20-13-19(10-12-23-20)24-15-18-9-6-11-22-14-18/h3-14H,2,15-16H2,1H3,(H,23,24)
InChIKeyJCHNDJZPLBAUQN-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.75
Rot. Bonds7

About N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109212489) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID109212489
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(NCc2cccnc2)ccn1
InChIInChI=1S/C21H22N4O/c1-2-25(16-17-7-4-3-5-8-17)21(26)20-13-19(10-12-23-20)24-15-18-9-6-11-22-14-18/h3-14H,2,15-16H2,1H3,(H,23,24)
InChIKeyJCHNDJZPLBAUQN-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-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62168228
N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109212519
N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
CID 109212563
N-ethyl-4-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62247237
methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109212562
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886
N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109212553
N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213194
N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109190700
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 109212489) is N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(NCc2cccnc2)ccn1.
What is the InChIKey of N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is JCHNDJZPLBAUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-25(16-17-7-4-3-5-8-17)21(26)20-13-19(10-12-23-20)24-15-18-9-6-11-22-14-18/h3-14H,2,15-16H2,1H3,(H,23,24).
What are the key properties of N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
N-benzyl-N-ethyl-4-(pyridin-3-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-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109212489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).