4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide

C24H34N4O2 — CID 142931607

IUPAC4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESCN(C)C1CCN(C2C=CC(NC(=O)C3=CCC(NC(=O)C4CCC4)C=C3)=CC2)C1
InChIInChI=1S/C24H34N4O2/c1-27(2)22-14-15-28(16-22)21-12-10-20(11-13-21)26-24(30)18-6-8-19(9-7-18)25-23(29)17-4-3-5-17/h6-8,10-12,17,19,21-22H,3-5,9,13-16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyZWQPTCTYUMGLOD-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.12
Rot. Bonds6

About 4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide

4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 142931607) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide
PubChem CID142931607
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESCN(C)C1CCN(C2C=CC(NC(=O)C3=CCC(NC(=O)C4CCC4)C=C3)=CC2)C1
InChIInChI=1S/C24H34N4O2/c1-27(2)22-14-15-28(16-22)21-12-10-20(11-13-21)26-24(30)18-6-8-19(9-7-18)25-23(29)17-4-3-5-17/h6-8,10-12,17,19,21-22H,3-5,9,13-16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyZWQPTCTYUMGLOD-UHFFFAOYSA-N
XLogP2.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide (CID 142931607) is 4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide is CN(C)C1CCN(C2C=CC(NC(=O)C3=CCC(NC(=O)C4CCC4)C=C3)=CC2)C1.
What is the InChIKey of 4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is ZWQPTCTYUMGLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-27(2)22-14-15-28(16-22)21-12-10-20(11-13-21)26-24(30)18-6-8-19(9-7-18)25-23(29)17-4-3-5-17/h6-8,10-12,17,19,21-22H,3-5,9,13-16H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide?
4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 142931607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).