1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide

C29H30N4O3 — CID 66991120

IUPAC1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide
SMILESO=C1Nc2cc(C=CCNC(=O)c3cccn(CC4CCCCC4)c3=O)ccc2C1=Cc1ccc[nH]1
InChIInChI=1S/C29H30N4O3/c34-27(24-11-6-16-33(29(24)36)19-21-7-2-1-3-8-21)31-15-4-9-20-12-13-23-25(18-22-10-5-14-30-22)28(35)32-26(23)17-20/h4-6,9-14,16-18,21,30H,1-3,7-8,15,19H2,(H,31,34)(H,32,35)
InChIKeyYPIJTPMNYXSZJO-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.69
Rot. Bonds7

About 1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide

1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide (PubChem CID 66991120) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide
PubChem CID66991120
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide
SMILESO=C1Nc2cc(C=CCNC(=O)c3cccn(CC4CCCCC4)c3=O)ccc2C1=Cc1ccc[nH]1
InChIInChI=1S/C29H30N4O3/c34-27(24-11-6-16-33(29(24)36)19-21-7-2-1-3-8-21)31-15-4-9-20-12-13-23-25(18-22-10-5-14-30-22)28(35)32-26(23)17-20/h4-6,9-14,16-18,21,30H,1-3,7-8,15,19H2,(H,31,34)(H,32,35)
InChIKeyYPIJTPMNYXSZJO-UHFFFAOYSA-N
XLogP4.69
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 2398

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide (CID 66991120) is 1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide is O=C1Nc2cc(C=CCNC(=O)c3cccn(CC4CCCCC4)c3=O)ccc2C1=Cc1ccc[nH]1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide?
The InChIKey is YPIJTPMNYXSZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c34-27(24-11-6-16-33(29(24)36)19-21-7-2-1-3-8-21)31-15-4-9-20-12-13-23-25(18-22-10-5-14-30-22)28(35)32-26(23)17-20/h4-6,9-14,16-18,21,30H,1-3,7-8,15,19H2,(H,31,34)(H,32,35).
What are the key properties of 1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide?
1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-oxo-N-[3-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]prop-2-enyl]pyridine-3-carboxamide is sourced from PubChem (CID 66991120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).