N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide

C29H37ClN4O4 — CID 98101929

IUPACN'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide
SMILESO=C(CCCC(=O)N(C[C@H]1CCCO1)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1)Nc1ccccn1
InChIInChI=1S/C29H37ClN4O4/c30-22-16-14-21(15-17-22)28(29(37)32-23-8-2-1-3-9-23)34(20-24-10-7-19-38-24)27(36)13-6-12-26(35)33-25-11-4-5-18-31-25/h4-5,11,14-18,23-24,28H,1-3,6-10,12-13,19-20H2,(H,32,37)(H,31,33,35)/t24-,28-/m1/s1
InChIKeyUXFAWBXZTCFKDD-UFHPHHKVSA-N
MW541.09 g/mol
LogP5.04
Rot. Bonds11

About N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide

N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide (PubChem CID 98101929) has the molecular formula C29H37ClN4O4 and a molecular weight of 541.09 g/mol. Its IUPAC name is N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide
PubChem CID98101929
Molecular FormulaC29H37ClN4O4
Molecular Weight541.09 g/mol
Exact Mass540.25
IUPAC NameN'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide
SMILESO=C(CCCC(=O)N(C[C@H]1CCCO1)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1)Nc1ccccn1
InChIInChI=1S/C29H37ClN4O4/c30-22-16-14-21(15-17-22)28(29(37)32-23-8-2-1-3-9-23)34(20-24-10-7-19-38-24)27(36)13-6-12-26(35)33-25-11-4-5-18-31-25/h4-5,11,14-18,23-24,28H,1-3,6-10,12-13,19-20H2,(H,32,37)(H,31,33,35)/t24-,28-/m1/s1
InChIKeyUXFAWBXZTCFKDD-UFHPHHKVSA-N
XLogP5.04
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.09
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[(4-fluorophenyl)methyl]-N-pyridin-2-ylpentanediamide
CID 98101924
N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(2-ethylphenyl)-N-pyridin-2-ylpentanediamide
CID 3197375
N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide
CID 98102149
N'-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-[(2-fluorophenyl)methyl]-N-pyridin-2-ylpentanediamide
CID 98101867
N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylpentanediamide
CID 3197373
N'-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-2-yl-N'-[3-(trifluoromethyl)phenyl]pentanediamide
CID 98101912
N'-[(1S)-2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-[[(2S)-oxolan-2-yl]methyl]-N-pyridin-2-ylbutanediamide
CID 40901671
N'-benzyl-N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-pyridin-2-ylpentanediamide
CID 3197364
N'-(3-chloro-4-fluorophenyl)-N'-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-pyridin-2-ylpentanediamide
CID 3197214
N'-(3-chloro-4-fluorophenyl)-N'-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylpentanediamide
CID 98102004
N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylpentanediamide
CID 3197370
N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(2-methylphenyl)-N-pyridin-2-ylpentanediamide
CID 3197347

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide (CID 98101929) is N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide is O=C(CCCC(=O)N(C[C@H]1CCCO1)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1)Nc1ccccn1.
What is the InChIKey of N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide?
The InChIKey is UXFAWBXZTCFKDD-UFHPHHKVSA-N. The full InChI is InChI=1S/C29H37ClN4O4/c30-22-16-14-21(15-17-22)28(29(37)32-23-8-2-1-3-9-23)34(20-24-10-7-19-38-24)27(36)13-6-12-26(35)33-25-11-4-5-18-31-25/h4-5,11,14-18,23-24,28H,1-3,6-10,12-13,19-20H2,(H,32,37)(H,31,33,35)/t24-,28-/m1/s1.
What are the key properties of N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide?
N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide has a molecular weight of 541.09 g/mol, XLogP of 5.04, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 98101929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).