(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide

C25H30N4O — CID 108848978

IUPAC(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NC(C)c1ccc2c(c1)CCCC2)CCc1ccncc1
InChIInChI=1S/C25H30N4O/c1-3-29(15-12-20-10-13-27-14-11-20)18-24(17-26)25(30)28-19(2)22-9-8-21-6-4-5-7-23(21)16-22/h8-11,13-14,16,18-19H,3-7,12,15H2,1-2H3,(H,28,30)/b24-18-
InChIKeyMVZMKOFEKGHKMB-MOHJPFBDSA-N
MW402.54 g/mol
LogP4.11
Rot. Bonds8

About (Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide

(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide (PubChem CID 108848978) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is (Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
PubChem CID108848978
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NC(C)c1ccc2c(c1)CCCC2)CCc1ccncc1
InChIInChI=1S/C25H30N4O/c1-3-29(15-12-20-10-13-27-14-11-20)18-24(17-26)25(30)28-19(2)22-9-8-21-6-4-5-7-23(21)16-22/h8-11,13-14,16,18-19H,3-7,12,15H2,1-2H3,(H,28,30)/b24-18-
InChIKeyMVZMKOFEKGHKMB-MOHJPFBDSA-N
XLogP4.11
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-3-[ethyl(2-hydroxyethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848956
(Z)-2-cyano-3-(propylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848781
(Z)-2-cyano-3-[2-(4-methoxyphenyl)ethylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848831
(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 108848275
(Z)-N-benzyl-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enamide
CID 108842279
(Z)-2-cyano-3-piperidin-1-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848894
2-[4-[[(Z)-2-cyano-3-oxo-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]prop-1-enyl]amino]phenyl]acetic acid
CID 108848929
(Z)-3-[(4-bromo-2-pyridinyl)amino]-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108849125
(Z)-3-(4-acetamidoanilino)-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848777
(Z)-3-(3-acetylanilino)-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848879
(Z)-2-cyano-3-[(4-methyl-1,3-thiazol-2-yl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848907
4-[[(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]prop-2-enoyl]amino]benzenesulfonic acid
CID 108819241

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide (CID 108848978) is (Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide is CCN(/C=C(/C#N)C(=O)NC(C)c1ccc2c(c1)CCCC2)CCc1ccncc1.
What is the InChIKey of (Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
The InChIKey is MVZMKOFEKGHKMB-MOHJPFBDSA-N. The full InChI is InChI=1S/C25H30N4O/c1-3-29(15-12-20-10-13-27-14-11-20)18-24(17-26)25(30)28-19(2)22-9-8-21-6-4-5-7-23(21)16-22/h8-11,13-14,16,18-19H,3-7,12,15H2,1-2H3,(H,28,30)/b24-18-.
What are the key properties of (Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide?
(Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide has a molecular weight of 402.54 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[ethyl(2-pyridin-4-ylethyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 108848978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).