(2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide

C19H24ClN3O2 — CID 144603698

IUPAC(2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide
SMILESC=C(C)/C=C(\C(=C)Cl)C(=O)NCC(c1ccncc1)N1CCOCC1
InChIInChI=1S/C19H24ClN3O2/c1-14(2)12-17(15(3)20)19(24)22-13-18(16-4-6-21-7-5-16)23-8-10-25-11-9-23/h4-7,12,18H,1,3,8-11,13H2,2H3,(H,22,24)/b17-12+
InChIKeyROOLHTUSVBLHEO-SFQUDFHCSA-N
MW361.87 g/mol
LogP2.83
Rot. Bonds7

About (2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide

(2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide (PubChem CID 144603698) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is (2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide
PubChem CID144603698
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name(2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide
SMILESC=C(C)/C=C(\C(=C)Cl)C(=O)NCC(c1ccncc1)N1CCOCC1
InChIInChI=1S/C19H24ClN3O2/c1-14(2)12-17(15(3)20)19(24)22-13-18(16-4-6-21-7-5-16)23-8-10-25-11-9-23/h4-7,12,18H,1,3,8-11,13H2,2H3,(H,22,24)/b17-12+
InChIKeyROOLHTUSVBLHEO-SFQUDFHCSA-N
XLogP2.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]benzamide
CID 124647352
2,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]benzamide
CID 124647353
1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97281829
2-cyclohexyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]acetamide
CID 99927953
2,6-dimethyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrimidine-4-carboxamide
CID 95127691
N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-2-thiophen-3-ylacetamide
CID 99927845
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
CID 7644877
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 7645033
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7644905
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-pyridin-3-ylpropanamide
CID 99927332
(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide
CID 110302697

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide?
The IUPAC name of (2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide (CID 144603698) is (2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide?
The canonical SMILES for (2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide is C=C(C)/C=C(\C(=C)Cl)C(=O)NCC(c1ccncc1)N1CCOCC1.
What is the InChIKey of (2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide?
The InChIKey is ROOLHTUSVBLHEO-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-14(2)12-17(15(3)20)19(24)22-13-18(16-4-6-21-7-5-16)23-8-10-25-11-9-23/h4-7,12,18H,1,3,8-11,13H2,2H3,(H,22,24)/b17-12+.
What are the key properties of (2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide?
(2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide has a molecular weight of 361.87 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-chloroethenyl)-4-methyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)penta-2,4-dienamide is sourced from PubChem (CID 144603698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).