(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide

C16H21N5O2 — CID 108862942

IUPAC(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide
SMILESN#C/C(=C/NCc1cccnc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H21N5O2/c17-10-15(13-19-12-14-2-1-3-18-11-14)16(22)20-4-5-21-6-8-23-9-7-21/h1-3,11,13,19H,4-9,12H2,(H,20,22)/b15-13-
InChIKeyAVYBRQPGSHSSFL-SQFISAMPSA-N
MW315.38 g/mol
LogP0.03
Rot. Bonds7

About (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide

(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide (PubChem CID 108862942) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide
PubChem CID108862942
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide
SMILESN#C/C(=C/NCc1cccnc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H21N5O2/c17-10-15(13-19-12-14-2-1-3-18-11-14)16(22)20-4-5-21-6-8-23-9-7-21/h1-3,11,13,19H,4-9,12H2,(H,20,22)/b15-13-
InChIKeyAVYBRQPGSHSSFL-SQFISAMPSA-N
XLogP0.03
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837388
(Z)-3-[[3-(aminomethyl)phenyl]methylamino]-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863021
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835157
(Z)-2-cyano-3-[2-(3-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863228
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863161
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
(E)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 146025171
(Z)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(pyridin-3-ylmethylamino)prop-2-enamide
CID 108841409
(Z)-3-(2-acetamidoethylamino)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837522
(Z)-2-cyano-3-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863182
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pentylamino)prop-2-enamide
CID 108863041

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide (CID 108862942) is (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide is N#C/C(=C/NCc1cccnc1)C(=O)NCCN1CCOCC1.
What is the InChIKey of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide?
The InChIKey is AVYBRQPGSHSSFL-SQFISAMPSA-N. The full InChI is InChI=1S/C16H21N5O2/c17-10-15(13-19-12-14-2-1-3-18-11-14)16(22)20-4-5-21-6-8-23-9-7-21/h1-3,11,13,19H,4-9,12H2,(H,20,22)/b15-13-.
What are the key properties of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide?
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide has a molecular weight of 315.38 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide is sourced from PubChem (CID 108862942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).