4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide

C15H13ClN4O — CID 133392057

IUPAC4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide
SMILESN#Cc1cccc(NCCNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H13ClN4O/c16-12-6-4-11(5-7-12)15(21)19-9-8-18-14-3-1-2-13(10-17)20-14/h1-7H,8-9H2,(H,18,20)(H,19,21)
InChIKeyRHMKFJRXXQPOIZ-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.45
Rot. Bonds5

About 4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide

4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide (PubChem CID 133392057) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide
PubChem CID133392057
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide
SMILESN#Cc1cccc(NCCNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H13ClN4O/c16-12-6-4-11(5-7-12)15(21)19-9-8-18-14-3-1-2-13(10-17)20-14/h1-7H,8-9H2,(H,18,20)(H,19,21)
InChIKeyRHMKFJRXXQPOIZ-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-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-4-chlorobenzamide
CID 133334324
4-[[(6-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 64588346
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
4-chloro-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56698960
4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide
CID 133433473
N-[2-(2-cyano-3-fluoroanilino)ethyl]-4-methoxybenzamide
CID 47037739
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745
N-[2-(4-chloro-2-cyanoanilino)ethyl]-4-methylbenzamide
CID 133282125
4-chloro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700446
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
6-(3-cyanopropylamino)pyridine-2-carbonitrile
CID 130778540

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide (CID 133392057) is 4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide is N#Cc1cccc(NCCNC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide?
The InChIKey is RHMKFJRXXQPOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-12-6-4-11(5-7-12)15(21)19-9-8-18-14-3-1-2-13(10-17)20-14/h1-7H,8-9H2,(H,18,20)(H,19,21).
What are the key properties of 4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide?
4-chloro-N-[2-[(6-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 4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide is sourced from PubChem (CID 133392057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).