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

C13H16N4O2 — CID 108833309

IUPAC(Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\NCc1ccncc1
InChIInChI=1S/C13H16N4O2/c1-19-7-6-17-13(18)12(8-14)10-16-9-11-2-4-15-5-3-11/h2-5,10,16H,6-7,9H2,1H3,(H,17,18)/b12-10-
InChIKeyYDQCWSIQUVHYAQ-BENRWUELSA-N
MW260.30 g/mol
LogP0.34
Rot. Bonds7

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

(Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide (PubChem CID 108833309) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide
PubChem CID108833309
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\NCc1ccncc1
InChIInChI=1S/C13H16N4O2/c1-19-7-6-17-13(18)12(8-14)10-16-9-11-2-4-15-5-3-11/h2-5,10,16H,6-7,9H2,1H3,(H,17,18)/b12-10-
InChIKeyYDQCWSIQUVHYAQ-BENRWUELSA-N
XLogP0.34
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-methoxyethyl)-3-[(4-methylphenyl)methylamino]prop-2-enamide
CID 108833308
(Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide
CID 108820282
(Z)-N-(3-butoxypropyl)-2-cyano-3-(pyridin-4-ylmethylamino)prop-2-enamide
CID 108837020
3-[[(Z)-2-cyano-3-(pyridin-4-ylmethylamino)prop-2-enoyl]amino]propanoic acid
CID 108817672
N-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 5077077
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 108833231
(Z)-3-[2-(4-bromophenyl)ethylamino]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 108833526
(Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-3-ylamino)prop-2-enamide
CID 108833372
(Z)-2-cyano-3-(2-cyanoethylamino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833537
(Z)-3-[(3-chlorophenyl)methylamino]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 108836849
(Z)-2-cyano-N-(2-methoxyethyl)-3-(prop-2-enylamino)prop-2-enamide
CID 108833377
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide
CID 108855605

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide (CID 108833309) is (Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide is COCCNC(=O)/C(C#N)=C\NCc1ccncc1.
What is the InChIKey of (Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide?
The InChIKey is YDQCWSIQUVHYAQ-BENRWUELSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-7-6-17-13(18)12(8-14)10-16-9-11-2-4-15-5-3-11/h2-5,10,16H,6-7,9H2,1H3,(H,17,18)/b12-10-.
What are the key properties of (Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide?
(Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide has a molecular weight of 260.30 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide is sourced from PubChem (CID 108833309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).