(2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide

C19H13Cl2N5O2 — CID 87981273

IUPAC(2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide
SMILESCO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C19H13Cl2N5O2/c1-28-17(19(27)26-13-9-23-18(8-22)24-10-13)4-2-3-12-5-11-6-14(20)15(21)7-16(11)25-12/h2-7,9-10,25H,1H3,(H,26,27)/b3-2+,17-4-
InChIKeyQSSFADMQINTTOP-FKJKDRHESA-N
MW414.25 g/mol
LogP4.32
Rot. Bonds5

About (2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide

(2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide (PubChem CID 87981273) has the molecular formula C19H13Cl2N5O2 and a molecular weight of 414.25 g/mol. Its IUPAC name is (2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide
PubChem CID87981273
Molecular FormulaC19H13Cl2N5O2
Molecular Weight414.25 g/mol
Exact Mass413.04
IUPAC Name(2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide
SMILESCO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C19H13Cl2N5O2/c1-28-17(19(27)26-13-9-23-18(8-22)24-10-13)4-2-3-12-5-11-6-14(20)15(21)7-16(11)25-12/h2-7,9-10,25H,1H3,(H,26,27)/b3-2+,17-4-
InChIKeyQSSFADMQINTTOP-FKJKDRHESA-N
XLogP4.32
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.25
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide (CID 87981273) is (2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide is CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)Nc1cnc(C#N)nc1.
What is the InChIKey of (2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide?
The InChIKey is QSSFADMQINTTOP-FKJKDRHESA-N. The full InChI is InChI=1S/C19H13Cl2N5O2/c1-28-17(19(27)26-13-9-23-18(8-22)24-10-13)4-2-3-12-5-11-6-14(20)15(21)7-16(11)25-12/h2-7,9-10,25H,1H3,(H,26,27)/b3-2+,17-4-.
What are the key properties of (2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide?
(2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide has a molecular weight of 414.25 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-(2-cyanopyrimidin-5-yl)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide is sourced from PubChem (CID 87981273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).