5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide

C26H29N5O2 — CID 53108476

IUPAC5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2)cnc1N1CCNCC1
InChIInChI=1S/C26H29N5O2/c1-2-30(19-20-9-5-3-6-10-20)26(33)23-17-22(29-25(32)21-11-7-4-8-12-21)18-28-24(23)31-15-13-27-14-16-31/h3-12,17-18,27H,2,13-16,19H2,1H3,(H,29,32)
InChIKeyAEKFNEYQQJBJAK-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.41
Rot. Bonds7

About 5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide

5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 53108476) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID53108476
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2)cnc1N1CCNCC1
InChIInChI=1S/C26H29N5O2/c1-2-30(19-20-9-5-3-6-10-20)26(33)23-17-22(29-25(32)21-11-7-4-8-12-21)18-28-24(23)31-15-13-27-14-16-31/h3-12,17-18,27H,2,13-16,19H2,1H3,(H,29,32)
InChIKeyAEKFNEYQQJBJAK-UHFFFAOYSA-N
XLogP3.41
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[(4-chlorobenzoyl)amino]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 50828181
N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53010611
5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108494
N-butyl-N-ethyl-5-[(2-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 163335933
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide
CID 46381980
2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 46363303
N-[3-[(E)-3-[benzyl(ethyl)amino]-3-oxoprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 71001378
ethyl 1-[5-[(4-fluorobenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 146062774
ethyl 1-[5-[(4-methoxybenzoyl)amino]-2-piperazin-1-ylpyridine-3-carbonyl]piperidine-4-carboxylate
CID 53108497
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of 5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide (CID 53108476) is 5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2ccccc2)cnc1N1CCNCC1.
What is the InChIKey of 5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is AEKFNEYQQJBJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-2-30(19-20-9-5-3-6-10-20)26(33)23-17-22(29-25(32)21-11-7-4-8-12-21)18-28-24(23)31-15-13-27-14-16-31/h3-12,17-18,27H,2,13-16,19H2,1H3,(H,29,32).
What are the key properties of 5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide?
5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-benzyl-N-ethyl-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53108476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).