(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide

C20H16N4O2 — CID 108842938

IUPAC(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide
SMILESN#C/C(=C/NCc1ccccn1)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C20H16N4O2/c21-11-14(12-22-13-15-5-1-2-10-23-15)20(26)24-18-8-3-7-17-16(18)6-4-9-19(17)25/h1-10,12,22,25H,13H2,(H,24,26)/b14-12-
InChIKeyLZCKNWCAWDAGDK-OWBHPGMISA-N
MW344.37 g/mol
LogP3.08
Rot. Bonds5

About (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide

(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide (PubChem CID 108842938) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide
PubChem CID108842938
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide
SMILESN#C/C(=C/NCc1ccccn1)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C20H16N4O2/c21-11-14(12-22-13-15-5-1-2-10-23-15)20(26)24-18-8-3-7-17-16(18)6-4-9-19(17)25/h1-10,12,22,25H,13H2,(H,24,26)/b14-12-
InChIKeyLZCKNWCAWDAGDK-OWBHPGMISA-N
XLogP3.08
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
(Z)-N-(4-bromophenyl)-2-cyano-3-(pyridin-2-ylmethylamino)prop-2-enamide
CID 108814930
(Z)-2-cyano-3-[2-(2-hydroxyethoxy)ethylamino]-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 108842985
(Z)-2-cyano-3-(2-ethoxyanilino)-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 108843062
(Z)-3-[2-(4-bromophenyl)ethylamino]-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 108843154
(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-[2-(1H-indol-3-yl)ethylamino]prop-2-enamide
CID 108843085
(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enamide
CID 108843125
(Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855171
4-[[(Z)-2-cyano-3-(pyridin-2-ylmethylamino)prop-2-enoyl]amino]butanoic acid
CID 108845918
(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-enamide
CID 108843074
(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-N-(2-methoxyphenyl)prop-2-enamide
CID 108820969
(Z)-3-[(5-bromo-2-pyridinyl)amino]-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 108843158

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide (CID 108842938) is (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide is N#C/C(=C/NCc1ccccn1)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide?
The InChIKey is LZCKNWCAWDAGDK-OWBHPGMISA-N. The full InChI is InChI=1S/C20H16N4O2/c21-11-14(12-22-13-15-5-1-2-10-23-15)20(26)24-18-8-3-7-17-16(18)6-4-9-19(17)25/h1-10,12,22,25H,13H2,(H,24,26)/b14-12-.
What are the key properties of (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide?
(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide has a molecular weight of 344.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide is sourced from PubChem (CID 108842938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).