N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

C26H43N5O3 — CID 22260593

IUPACN-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCC1CCC(N2CCC(C#N)(NC(=O)C(CC3CCCCC3)NC(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C26H43N5O3/c1-20-7-9-22(10-8-20)31-12-11-26(18-27,19-31)29-24(32)23(17-21-5-3-2-4-6-21)28-25(33)30-13-15-34-16-14-30/h20-23H,2-17,19H2,1H3,(H,28,33)(H,29,32)
InChIKeyNLIWQMZWGLIZKC-UHFFFAOYSA-N
MW473.66 g/mol
LogP3.03
Rot. Bonds6

About N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 22260593) has the molecular formula C26H43N5O3 and a molecular weight of 473.66 g/mol. Its IUPAC name is N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID22260593
Molecular FormulaC26H43N5O3
Molecular Weight473.66 g/mol
Exact Mass473.34
IUPAC NameN-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCC1CCC(N2CCC(C#N)(NC(=O)C(CC3CCCCC3)NC(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C26H43N5O3/c1-20-7-9-22(10-8-20)31-12-11-26(18-27,19-31)29-24(32)23(17-21-5-3-2-4-6-21)28-25(33)30-13-15-34-16-14-30/h20-23H,2-17,19H2,1H3,(H,28,33)(H,29,32)
InChIKeyNLIWQMZWGLIZKC-UHFFFAOYSA-N
XLogP3.03
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.66
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-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 N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 22260593) is N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is CC1CCC(N2CCC(C#N)(NC(=O)C(CC3CCCCC3)NC(=O)N3CCOCC3)C2)CC1.
What is the InChIKey of N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is NLIWQMZWGLIZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N5O3/c1-20-7-9-22(10-8-20)31-12-11-26(18-27,19-31)29-24(32)23(17-21-5-3-2-4-6-21)28-25(33)30-13-15-34-16-14-30/h20-23H,2-17,19H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 473.66 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).