(Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one

C14H11ClN2O — CID 18531510

IUPAC(Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C\Nc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C14H11ClN2O/c15-12-6-7-14(17-10-12)16-9-8-13(18)11-4-2-1-3-5-11/h1-10H,(H,16,17)/b9-8-
InChIKeyMYURRXYKACSVNU-HJWRWDBZSA-N
MW258.71 g/mol
LogP3.54
Rot. Bonds4

About (Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one

(Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one (PubChem CID 18531510) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is (Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one
PubChem CID18531510
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name(Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C\Nc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C14H11ClN2O/c15-12-6-7-14(17-10-12)16-9-8-13(18)11-4-2-1-3-5-11/h1-10H,(H,16,17)/b9-8-
InChIKeyMYURRXYKACSVNU-HJWRWDBZSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(5-bromo-2-pyridinyl)amino]-1-(4-chlorophenyl)prop-2-en-1-one
CID 871054
(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 5310821
5-chloro-N-[(Z)-prop-1-enyl]pyridin-2-amine
CID 89116538
(E)-1-(2,4-dichlorophenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 27191231
(E)-1-(4-chlorophenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-en-1-one
CID 39346468
(Z)-3-(2-benzoyl-5-chloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 6106521
N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282358
(E)-1-(4-chlorophenyl)-3-(4-phenoxyanilino)prop-2-en-1-one
CID 39346442
(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
3-[(5-bromo-2-pyridinyl)amino]-1-[3-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 4775877
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one?
The IUPAC name of (Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one (CID 18531510) is (Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one is O=C(/C=C\Nc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of (Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one?
The InChIKey is MYURRXYKACSVNU-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-12-6-7-14(17-10-12)16-9-8-13(18)11-4-2-1-3-5-11/h1-10H,(H,16,17)/b9-8-.
What are the key properties of (Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one?
(Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one has a molecular weight of 258.71 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 18531510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).