N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide

C16H14N4O — CID 100618809

IUPACN-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide
SMILESN#Cc1cnccc1Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H14N4O/c17-9-12-10-18-8-7-15(12)19-13-3-5-14(6-4-13)20-16(21)11-1-2-11/h3-8,10-11H,1-2H2,(H,18,19)(H,20,21)
InChIKeyUESFSURHDHMBAL-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.05
Rot. Bonds4

About N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide

N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 100618809) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID100618809
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide
SMILESN#Cc1cnccc1Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H14N4O/c17-9-12-10-18-8-7-15(12)19-13-3-5-14(6-4-13)20-16(21)11-1-2-11/h3-8,10-11H,1-2H2,(H,18,19)(H,20,21)
InChIKeyUESFSURHDHMBAL-UHFFFAOYSA-N
XLogP3.05
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
CID 112989877
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113037041
N-(3-cyano-4-pyridinyl)spiro[3.4]octane-8-carboxamide
CID 166272703
4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782603
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113022700
N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide
CID 112989824
N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 78965831
N-[3-cyano-4-(4-methylphenyl)sulfinylphenyl]cyclopropanecarboxamide
CID 1489506
N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide
CID 112989688
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 28660347

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide (CID 100618809) is N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide is N#Cc1cnccc1Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is UESFSURHDHMBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-9-12-10-18-8-7-15(12)19-13-3-5-14(6-4-13)20-16(21)11-1-2-11/h3-8,10-11H,1-2H2,(H,18,19)(H,20,21).
What are the key properties of N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide?
N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 278.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 100618809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).