N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide

C15H13N7O — CID 6285513

IUPACN-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H13N7O/c1-11(18-19-15(23)13-5-3-7-16-9-13)12-4-2-6-14(8-12)22-10-17-20-21-22/h2-10H,1H3,(H,19,23)/b18-11-
InChIKeyXBYXPCQETCTUAR-WQRHYEAKSA-N
MW307.32 g/mol
LogP1.21
Rot. Bonds4

About N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide

N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide (PubChem CID 6285513) has the molecular formula C15H13N7O and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
PubChem CID6285513
Molecular FormulaC15H13N7O
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H13N7O/c1-11(18-19-15(23)13-5-3-7-16-9-13)12-4-2-6-14(8-12)22-10-17-20-21-22/h2-10H,1H3,(H,19,23)/b18-11-
InChIKeyXBYXPCQETCTUAR-WQRHYEAKSA-N
XLogP1.21
TPSA97.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-hydroxy-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9072699
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998171
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4836895
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 46804642
N-[(E)-1-(3,4-difluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998227
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine
CID 9121680
2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726615
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide (CID 6285513) is N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide is C/C(=N/NC(=O)c1cccnc1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide?
The InChIKey is XBYXPCQETCTUAR-WQRHYEAKSA-N. The full InChI is InChI=1S/C15H13N7O/c1-11(18-19-15(23)13-5-3-7-16-9-13)12-4-2-6-14(8-12)22-10-17-20-21-22/h2-10H,1H3,(H,19,23)/b18-11-.
What are the key properties of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide?
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide has a molecular weight of 307.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6285513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).