2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide

C15H13ClN4O — CID 46443949

IUPAC2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
SMILESN#Cc1cccnc1NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClN4O/c16-13-6-2-1-5-12(13)15(21)20-9-8-19-14-11(10-17)4-3-7-18-14/h1-7H,8-9H2,(H,18,19)(H,20,21)
InChIKeyAJPXBNMPUXWPBW-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.45
Rot. Bonds5

About 2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide

2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide (PubChem CID 46443949) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
PubChem CID46443949
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
SMILESN#Cc1cccnc1NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClN4O/c16-13-6-2-1-5-12(13)15(21)20-9-8-19-14-11(10-17)4-3-7-18-14/h1-7H,8-9H2,(H,18,19)(H,20,21)
InChIKeyAJPXBNMPUXWPBW-UHFFFAOYSA-N
XLogP2.45
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-5-(methylsulfamoyl)benzamide
CID 55729345
2-chloro-N-[2-[[3-(3-cyano-2-pyridinyl)benzoyl]amino]ethyl]benzamide
CID 134802252
2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide
CID 133316214
1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(3,3-diphenylpropyl)urea
CID 55770075
N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55727986
2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 51116086
1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-[2-(2,6-difluorophenyl)ethyl]urea
CID 47066721
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55839404
5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 55727924
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 55729837
3-bromo-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-methoxybenzamide
CID 47037254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide (CID 46443949) is 2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide is N#Cc1cccnc1NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide?
The InChIKey is AJPXBNMPUXWPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-13-6-2-1-5-12(13)15(21)20-9-8-19-14-11(10-17)4-3-7-18-14/h1-7H,8-9H2,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide?
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide has a molecular weight of 300.75 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide is sourced from PubChem (CID 46443949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).