N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide

C16H13N5O — CID 135476831

IUPACN-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1cn[nH]c1-c1ccccc1)c1cccnc1
InChIInChI=1S/C16H13N5O/c22-16(13-7-4-8-17-9-13)21-19-11-14-10-18-20-15(14)12-5-2-1-3-6-12/h1-11H,(H,18,20)(H,21,22)/b19-11-
InChIKeyMJHVHFOTXVASDS-ODLFYWEKSA-N
MW291.31 g/mol
LogP2.24
Rot. Bonds4

About N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide

N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135476831) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID135476831
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1cn[nH]c1-c1ccccc1)c1cccnc1
InChIInChI=1S/C16H13N5O/c22-16(13-7-4-8-17-9-13)21-19-11-14-10-18-20-15(14)12-5-2-1-3-6-12/h1-11H,(H,18,20)(H,21,22)/b19-11-
InChIKeyMJHVHFOTXVASDS-ODLFYWEKSA-N
XLogP2.24
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide (CID 135476831) is N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1cn[nH]c1-c1ccccc1)c1cccnc1.
What is the InChIKey of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is MJHVHFOTXVASDS-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H13N5O/c22-16(13-7-4-8-17-9-13)21-19-11-14-10-18-20-15(14)12-5-2-1-3-6-12/h1-11H,(H,18,20)(H,21,22)/b19-11-.
What are the key properties of N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135476831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).