N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide

C19H31N3O — CID 127415284

IUPACN-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide
SMILESN#CC(NC(=O)C1CCN(C2CCCCC2)C1)C1CCCCC1
InChIInChI=1S/C19H31N3O/c20-13-18(15-7-3-1-4-8-15)21-19(23)16-11-12-22(14-16)17-9-5-2-6-10-17/h15-18H,1-12,14H2,(H,21,23)
InChIKeyMHAOGUJMSMPEPS-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.23
Rot. Bonds4

About N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide

N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide (PubChem CID 127415284) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide
PubChem CID127415284
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide
SMILESN#CC(NC(=O)C1CCN(C2CCCCC2)C1)C1CCCCC1
InChIInChI=1S/C19H31N3O/c20-13-18(15-7-3-1-4-8-15)21-19(23)16-11-12-22(14-16)17-9-5-2-6-10-17/h15-18H,1-12,14H2,(H,21,23)
InChIKeyMHAOGUJMSMPEPS-UHFFFAOYSA-N
XLogP3.23
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide
CID 97221344
N-[cyano(cyclopropyl)methyl]cyclopentanecarboxamide
CID 63821048
N-[(R)-cyano(oxan-4-yl)methyl]cyclohexanecarboxamide
CID 144828396
(3R)-N-[(S)-cyano-(2-methoxyphenyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide
CID 96528500
1-cyclohexylpyrrolidine-3-carboxamide;hydrochloride
CID 67294203
N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide
CID 55048282
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 61365534
N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide
CID 79155147
N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
CID 110482205
N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide
CID 55136713
cis-(1S,2R)-2-N-[(S)-cyano(cyclopropyl)methyl]cyclohexane-1,2-dicarboxamide
CID 20740195

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide (CID 127415284) is N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide is N#CC(NC(=O)C1CCN(C2CCCCC2)C1)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
The InChIKey is MHAOGUJMSMPEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c20-13-18(15-7-3-1-4-8-15)21-19(23)16-11-12-22(14-16)17-9-5-2-6-10-17/h15-18H,1-12,14H2,(H,21,23).
What are the key properties of N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide?
N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide is sourced from PubChem (CID 127415284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).