N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide

C20H15FN4O2 — CID 23107653

IUPACN-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1cccc(F)c1)c1cccnc1
InChIInChI=1S/C20H15FN4O2/c21-16-7-3-5-14(11-16)12-23-25-20(27)17-8-1-2-9-18(17)24-19(26)15-6-4-10-22-13-15/h1-13H,(H,24,26)(H,25,27)/b23-12+
InChIKeyBMNFRJDMHIKATC-FSJBWODESA-N
MW362.36 g/mol
LogP3.24
Rot. Bonds5

About N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide

N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 23107653) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID23107653
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC NameN-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1cccc(F)c1)c1cccnc1
InChIInChI=1S/C20H15FN4O2/c21-16-7-3-5-14(11-16)12-23-25-20(27)17-8-1-2-9-18(17)24-19(26)15-6-4-10-22-13-15/h1-13H,(H,24,26)(H,25,27)/b23-12+
InChIKeyBMNFRJDMHIKATC-FSJBWODESA-N
XLogP3.24
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.24
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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Related Compounds

N-[2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66637933
N-[4-chloro-2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 23107976
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146
2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107914
N-[(E)-(3-fluorophenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 23107609
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[(3-fluorobenzoyl)amino]benzamide
CID 23107274
N-[2-[[(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66637366
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
2-[(4-fluorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 23107441
2-benzamido-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4111465

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide (CID 23107653) is N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(F)c1)c1cccnc1.
What is the InChIKey of N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is BMNFRJDMHIKATC-FSJBWODESA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-16-7-3-5-14(11-16)12-23-25-20(27)17-8-1-2-9-18(17)24-19(26)15-6-4-10-22-13-15/h1-13H,(H,24,26)(H,25,27)/b23-12+.
What are the key properties of N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23107653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).