N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide

C14H10N4O — CID 6895632

IUPACN-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
SMILESN#Cc1ccc(/C=N/NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H10N4O/c15-8-11-3-5-12(6-4-11)9-17-18-14(19)13-2-1-7-16-10-13/h1-7,9-10H,(H,18,19)/b17-9+
InChIKeyYPFUELDHLRTWOK-RQZCQDPDSA-N
MW250.26 g/mol
LogP1.72
Rot. Bonds3

About N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 6895632) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID6895632
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC NameN-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
SMILESN#Cc1ccc(/C=N/NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H10N4O/c15-8-11-3-5-12(6-4-11)9-17-18-14(19)13-2-1-7-16-10-13/h1-7,9-10H,(H,18,19)/b17-9+
InChIKeyYPFUELDHLRTWOK-RQZCQDPDSA-N
XLogP1.72
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 126029202
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]pyridine-3-carboxamide
CID 126111355
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591242
2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 44714938
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide
CID 44725537
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-3-carboxamide
CID 6898640

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide (CID 6895632) is N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide is N#Cc1ccc(/C=N/NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is YPFUELDHLRTWOK-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H10N4O/c15-8-11-3-5-12(6-4-11)9-17-18-14(19)13-2-1-7-16-10-13/h1-7,9-10H,(H,18,19)/b17-9+.
What are the key properties of N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6895632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).