N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C18H16ClFN4O — CID 137282358

IUPACN-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESNC(/C=C\Nc1ccc(Cl)cn1)=N\C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H16ClFN4O/c19-12-5-6-16(23-11-12)22-10-7-15(21)24-17(25)18(8-9-18)13-3-1-2-4-14(13)20/h1-7,10-11H,8-9H2,(H,22,23)(H2,21,24,25)/b10-7-
InChIKeyXHSHHPSYJAAIQE-YFHOEESVSA-N
MW358.80 g/mol
LogP3.42
Rot. Bonds5

About N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 137282358) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID137282358
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC NameN-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESNC(/C=C\Nc1ccc(Cl)cn1)=N\C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H16ClFN4O/c19-12-5-6-16(23-11-12)22-10-7-15(21)24-17(25)18(8-9-18)13-3-1-2-4-14(13)20/h1-7,10-11H,8-9H2,(H,22,23)(H2,21,24,25)/b10-7-
InChIKeyXHSHHPSYJAAIQE-YFHOEESVSA-N
XLogP3.42
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-amino-3-(pyrimidin-4-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282308
N-[(Z)-1-amino-3-(pyrimidin-5-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372376
N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282357
N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596949
N-[(Z)-1-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372106
N-[(Z)-1-amino-3-[(2-ethoxy-4-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372160
N-[(Z)-1-amino-3-(3-chloroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 134595998
(Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one
CID 18531510
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 142372068
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-4-phenyloxane-4-carboxamide
CID 134596314
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
5-chloro-N-[(Z)-prop-1-enyl]pyridin-2-amine
CID 89116538

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 137282358) is N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is NC(/C=C\Nc1ccc(Cl)cn1)=N\C(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is XHSHHPSYJAAIQE-YFHOEESVSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c19-12-5-6-16(23-11-12)22-10-7-15(21)24-17(25)18(8-9-18)13-3-1-2-4-14(13)20/h1-7,10-11H,8-9H2,(H,22,23)(H2,21,24,25)/b10-7-.
What are the key properties of N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 358.80 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 137282358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).