N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide

C25H43N7O3 — CID 91463133

IUPACN-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide
SMILESCCNC(=O)N/C(=N\C(CC(C)C)C(=O)NC1(C#N)CCN(C2CCCCC2)C1)N1CCOCC1
InChIInChI=1S/C25H43N7O3/c1-4-27-24(34)29-23(31-12-14-35-15-13-31)28-21(16-19(2)3)22(33)30-25(17-26)10-11-32(18-25)20-8-6-5-7-9-20/h19-21H,4-16,18H2,1-3H3,(H,30,33)(H2,27,28,29,34)
InChIKeyOIZKVFXRFZCGSH-UHFFFAOYSA-N
MW489.67 g/mol
LogP1.83
Rot. Bonds7

About N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide

N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide (PubChem CID 91463133) has the molecular formula C25H43N7O3 and a molecular weight of 489.67 g/mol. Its IUPAC name is N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide.

Molecular Properties

Compound NameN-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide
PubChem CID91463133
Molecular FormulaC25H43N7O3
Molecular Weight489.67 g/mol
Exact Mass489.34
IUPAC NameN-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide
SMILESCCNC(=O)N/C(=N\C(CC(C)C)C(=O)NC1(C#N)CCN(C2CCCCC2)C1)N1CCOCC1
InChIInChI=1S/C25H43N7O3/c1-4-27-24(34)29-23(31-12-14-35-15-13-31)28-21(16-19(2)3)22(33)30-25(17-26)10-11-32(18-25)20-8-6-5-7-9-20/h19-21H,4-16,18H2,1-3H3,(H,30,33)(H2,27,28,29,34)
InChIKeyOIZKVFXRFZCGSH-UHFFFAOYSA-N
XLogP1.83
TPSA122.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.67
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide 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-[1-[[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 9867540
ethyl N-[N-[1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10116468
(2S)-N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[[(diethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]propanamide
CID 10164169
ethyl N-[C-(3-acetamidopyrrolidin-1-yl)-N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]carbonimidoyl]carbamate
CID 10186207
ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10205957
ethyl N-[N-[1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10205958
ethyl N-[N-[(2S)-1-[(3-cyano-1-propylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10226751
ethyl N-[N-[1-[(3-cyano-1-propylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10226753
ethyl N-[N-[1-[[3-cyano-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
CID 10230302
ethyl N-[C-[(3R)-3-acetamidopyrrolidin-1-yl]-N-[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]carbonimidoyl]carbamate
CID 10279532
2-[[(carbamoylamino)-morpholin-4-ylmethylidene]amino]-N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-3-cyclohexylpropanamide
CID 22063124
N-[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]propanamide
CID 22063159

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide?
The IUPAC name of N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide (CID 91463133) is N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide.
What is the SMILES notation for N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide?
The canonical SMILES for N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide is CCNC(=O)N/C(=N\C(CC(C)C)C(=O)NC1(C#N)CCN(C2CCCCC2)C1)N1CCOCC1.
What is the InChIKey of N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide?
The InChIKey is OIZKVFXRFZCGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N7O3/c1-4-27-24(34)29-23(31-12-14-35-15-13-31)28-21(16-19(2)3)22(33)30-25(17-26)10-11-32(18-25)20-8-6-5-7-9-20/h19-21H,4-16,18H2,1-3H3,(H,30,33)(H2,27,28,29,34).
What are the key properties of N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide?
N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide has a molecular weight of 489.67 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide is sourced from PubChem (CID 91463133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).