N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide

C15H12BrN3O — CID 7315708

IUPACN-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C\C=C/c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H12BrN3O/c16-14-7-5-12(6-8-14)3-1-10-18-19-15(20)13-4-2-9-17-11-13/h1-11H,(H,19,20)/b3-1-,18-10-
InChIKeyYYXNNEQQWAHYDZ-NAJRCZBDSA-N
MW330.19 g/mol
LogP3.27
Rot. Bonds4

About N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide

N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide (PubChem CID 7315708) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
PubChem CID7315708
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC NameN-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
SMILESO=C(N/N=C\C=C/c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H12BrN3O/c16-14-7-5-12(6-8-14)3-1-10-18-19-15(20)13-4-2-9-17-11-13/h1-11H,(H,19,20)/b3-1-,18-10-
InChIKeyYYXNNEQQWAHYDZ-NAJRCZBDSA-N
XLogP3.27
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide
CID 4616774
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135428734
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591242
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 24792357
N-[[4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925788
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
CID 6895632
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide (CID 7315708) is N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide is O=C(N/N=C\C=C/c1ccc(Br)cc1)c1cccnc1.
What is the InChIKey of N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The InChIKey is YYXNNEQQWAHYDZ-NAJRCZBDSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-14-7-5-12(6-8-14)3-1-10-18-19-15(20)13-4-2-9-17-11-13/h1-11H,(H,19,20)/b3-1-,18-10-.
What are the key properties of N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide has a molecular weight of 330.19 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-3-(4-bromophenyl)prop-2-enylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 7315708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).