N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide

C15H12F2N4O — CID 60556332

IUPACN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
SMILESN#Cc1cccnc1NCCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H12F2N4O/c16-11-4-1-5-12(17)13(11)15(22)21-8-7-20-14-10(9-18)3-2-6-19-14/h1-6H,7-8H2,(H,19,20)(H,21,22)
InChIKeyUBYPLLHSLSZULN-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.07
Rot. Bonds5

About N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide

N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide (PubChem CID 60556332) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
PubChem CID60556332
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
SMILESN#Cc1cccnc1NCCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H12F2N4O/c16-11-4-1-5-12(17)13(11)15(22)21-8-7-20-14-10(9-18)3-2-6-19-14/h1-6H,7-8H2,(H,19,20)(H,21,22)
InChIKeyUBYPLLHSLSZULN-UHFFFAOYSA-N
XLogP2.07
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.07
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

1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-[2-(2,6-difluorophenyl)ethyl]urea
CID 47066721
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 55729837
N-[2-(2-chloro-6-cyanoanilino)ethyl]-2,6-difluorobenzamide
CID 133352839
1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(3,3-diphenylpropyl)urea
CID 55770075
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-5-(methylsulfamoyl)benzamide
CID 55729345
N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55727986
3-bromo-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-methoxybenzamide
CID 47037254
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
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]-1,4-thiazepane-4-carboxamide
CID 71940540

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide (CID 60556332) is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide is N#Cc1cccnc1NCCNC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide?
The InChIKey is UBYPLLHSLSZULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c16-11-4-1-5-12(17)13(11)15(22)21-8-7-20-14-10(9-18)3-2-6-19-14/h1-6H,7-8H2,(H,19,20)(H,21,22).
What are the key properties of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide?
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide has a molecular weight of 302.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 60556332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).