4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

C24H29ClN4O2 — CID 90281900

IUPAC4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESNC(CNC(=O)C1(c2ccc(Cl)cc2)CC1)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C24H29ClN4O2/c25-19-7-5-18(6-8-19)24(11-12-24)23(31)28-15-21(26)16-1-3-17(4-2-16)22(30)29-20-9-13-27-14-10-20/h5-10,13-14,16-17,21H,1-4,11-12,15,26H2,(H,28,31)(H,27,29,30)
InChIKeyJJOUMAYNGPIIEJ-UHFFFAOYSA-N
MW440.98 g/mol
LogP3.66
Rot. Bonds7

About 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 90281900) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID90281900
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESNC(CNC(=O)C1(c2ccc(Cl)cc2)CC1)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C24H29ClN4O2/c25-19-7-5-18(6-8-19)24(11-12-24)23(31)28-15-21(26)16-1-3-17(4-2-16)22(30)29-20-9-13-27-14-10-20/h5-10,13-14,16-17,21H,1-4,11-12,15,26H2,(H,28,31)(H,27,29,30)
InChIKeyJJOUMAYNGPIIEJ-UHFFFAOYSA-N
XLogP3.66
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide 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 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 90281900) is 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is NC(CNC(=O)C1(c2ccc(Cl)cc2)CC1)C1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is JJOUMAYNGPIIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c25-19-7-5-18(6-8-19)24(11-12-24)23(31)28-15-21(26)16-1-3-17(4-2-16)22(30)29-20-9-13-27-14-10-20/h5-10,13-14,16-17,21H,1-4,11-12,15,26H2,(H,28,31)(H,27,29,30).
What are the key properties of 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 90281900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).