(Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide

C21H30N4O — CID 108862706

IUPAC(Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1cccnc1)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C21H30N4O/c22-15-18(16-24-20-13-10-14-23-17-20)21(26)25-19-11-8-6-4-2-1-3-5-7-9-12-19/h10,13-14,16-17,19,24H,1-9,11-12H2,(H,25,26)/b18-16-
InChIKeyNHKDPVGNDOASJQ-VLGSPTGOSA-N
MW354.50 g/mol
LogP4.69
Rot. Bonds4

About (Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide

(Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide (PubChem CID 108862706) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide
PubChem CID108862706
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide
SMILESN#C/C(=C/Nc1cccnc1)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C21H30N4O/c22-15-18(16-24-20-13-10-14-23-17-20)21(26)25-19-11-8-6-4-2-1-3-5-7-9-12-19/h10,13-14,16-17,19,24H,1-9,11-12H2,(H,25,26)/b18-16-
InChIKeyNHKDPVGNDOASJQ-VLGSPTGOSA-N
XLogP4.69
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
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

(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 2688597
(Z)-2-cyano-N-cyclohexyl-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108831470
(Z)-3-(3-acetamidoanilino)-2-cyano-N-cyclododecylprop-2-enamide
CID 108862713
(Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide
CID 108835427
4-[[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]amino]benzoic acid
CID 108835416
(Z)-2-cyano-N-cyclopentyl-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108835608
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108835409
(Z)-2-cyano-N-cyclododecyl-3-(2-fluoroanilino)prop-2-enamide
CID 108862661
(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide
CID 108831412
3-[[(Z)-2-cyano-3-(pyridin-3-ylamino)prop-2-enoyl]amino]propanoic acid
CID 108817735
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
2-[[(Z)-2-cyano-3-(cyclododecylamino)-3-oxoprop-1-enyl]amino]benzamide
CID 108862742

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide (CID 108862706) is (Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide is N#C/C(=C/Nc1cccnc1)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide?
The InChIKey is NHKDPVGNDOASJQ-VLGSPTGOSA-N. The full InChI is InChI=1S/C21H30N4O/c22-15-18(16-24-20-13-10-14-23-17-20)21(26)25-19-11-8-6-4-2-1-3-5-7-9-12-19/h10,13-14,16-17,19,24H,1-9,11-12H2,(H,25,26)/b18-16-.
What are the key properties of (Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide?
(Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide has a molecular weight of 354.50 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide is sourced from PubChem (CID 108862706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).