(Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile

C14H16N4O2 — CID 108843848

IUPAC(Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESCc1ccnc(N/C=C(/C#N)C(=O)N2CCOCC2)c1
InChIInChI=1S/C14H16N4O2/c1-11-2-3-16-13(8-11)17-10-12(9-15)14(19)18-4-6-20-7-5-18/h2-3,8,10H,4-7H2,1H3,(H,16,17)/b12-10-
InChIKeyYLNYNYYEYCEWHZ-BENRWUELSA-N
MW272.31 g/mol
LogP1.07
Rot. Bonds3

About (Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile

(Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile (PubChem CID 108843848) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile
PubChem CID108843848
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESCc1ccnc(N/C=C(/C#N)C(=O)N2CCOCC2)c1
InChIInChI=1S/C14H16N4O2/c1-11-2-3-16-13(8-11)17-10-12(9-15)14(19)18-4-6-20-7-5-18/h2-3,8,10H,4-7H2,1H3,(H,16,17)/b12-10-
InChIKeyYLNYNYYEYCEWHZ-BENRWUELSA-N
XLogP1.07
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
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-[4-(2-aminoethyl)piperazine-1-carbonyl]-3-[(4-methyl-2-pyridinyl)amino]prop-2-enenitrile
CID 108864218
(Z)-3-(2-methoxy-5-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843662
(Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108838681
(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-(pyridin-2-ylamino)prop-2-enenitrile
CID 108841172
4-[[(Z)-2-cyano-3-[(4-methyl-2-pyridinyl)amino]prop-2-enoyl]amino]benzoic acid
CID 108823435
(E)-3-(4-methylphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 40556389
(Z)-3-(3,4-diethoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843689
(Z)-3-(2,5-dichloroanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843576
ethyl 1-[(Z)-3-[(4-chloro-2-pyridinyl)amino]-2-cyanoprop-2-enoyl]piperidine-4-carboxylate
CID 108831307
(Z)-2-cyano-N-(4-hydroxy-2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108843479
(E)-3-(3-methoxyanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 705339
(Z)-2-cyano-N-(2-methylphenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
CID 108821570

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile (CID 108843848) is (Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile is Cc1ccnc(N/C=C(/C#N)C(=O)N2CCOCC2)c1.
What is the InChIKey of (Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The InChIKey is YLNYNYYEYCEWHZ-BENRWUELSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-11-2-3-16-13(8-11)17-10-12(9-15)14(19)18-4-6-20-7-5-18/h2-3,8,10H,4-7H2,1H3,(H,16,17)/b12-10-.
What are the key properties of (Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile?
(Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile has a molecular weight of 272.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(4-methyl-2-pyridinyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 108843848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).