(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide

C14H11N5O2 — CID 108855249

IUPAC(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1ncccn1)C(=O)Nc1ccccc1O
InChIInChI=1S/C14H11N5O2/c15-8-10(9-18-14-16-6-3-7-17-14)13(21)19-11-4-1-2-5-12(11)20/h1-7,9,20H,(H,19,21)(H,16,17,18)/b10-9-
InChIKeyYHXKFHSWHNLBEH-KTKRTIGZSA-N
MW281.28 g/mol
LogP1.64
Rot. Bonds4

About (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide

(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide (PubChem CID 108855249) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
PubChem CID108855249
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1ncccn1)C(=O)Nc1ccccc1O
InChIInChI=1S/C14H11N5O2/c15-8-10(9-18-14-16-6-3-7-17-14)13(21)19-11-4-1-2-5-12(11)20/h1-7,9,20H,(H,19,21)(H,16,17,18)/b10-9-
InChIKeyYHXKFHSWHNLBEH-KTKRTIGZSA-N
XLogP1.64
TPSA110.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108842954
methyl 2-[[(Z)-2-cyano-3-(pyrimidin-2-ylamino)prop-2-enoyl]amino]benzoate
CID 108851529
(Z)-3-(2-bromoanilino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855375
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108828865
(Z)-3-[(5-bromopyrimidin-2-yl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide
CID 108826840
(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855351
(Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855171
(Z)-2-cyano-3-(2,5-dichloroanilino)-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855126
(Z)-3-[(5-bromopyrimidin-2-yl)amino]-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108821248
(Z)-3-(5-chloro-2-methylanilino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855192
(Z)-3-[(5-bromopyrimidin-2-yl)amino]-2-cyano-N-(2-nitrophenyl)prop-2-enamide
CID 108816774
(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(2-hydroxyphenyl)prop-2-enamide chloride
CID 108855391

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide (CID 108855249) is (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide is N#C/C(=C/Nc1ncccn1)C(=O)Nc1ccccc1O.
What is the InChIKey of (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide?
The InChIKey is YHXKFHSWHNLBEH-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H11N5O2/c15-8-10(9-18-14-16-6-3-7-17-14)13(21)19-11-4-1-2-5-12(11)20/h1-7,9,20H,(H,19,21)(H,16,17,18)/b10-9-.
What are the key properties of (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide?
(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide has a molecular weight of 281.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-hydroxyphenyl)-3-(pyrimidin-2-ylamino)prop-2-enamide is sourced from PubChem (CID 108855249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).