N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide

C25H37N5O2 — CID 141163058

IUPACN-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide
SMILESN#CC1(NC(=O)C(CC2CCCCC2)NC2CNCCO2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C25H37N5O2/c26-18-25(11-13-30(19-25)17-21-9-5-2-6-10-21)29-24(31)22(15-20-7-3-1-4-8-20)28-23-16-27-12-14-32-23/h2,5-6,9-10,20,22-23,27-28H,1,3-4,7-8,11-17,19H2,(H,29,31)
InChIKeyPJGVNVHVYWPSSF-UHFFFAOYSA-N
MW439.60 g/mol
LogP2.15
Rot. Bonds8

About N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide

N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide (PubChem CID 141163058) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide
PubChem CID141163058
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC NameN-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide
SMILESN#CC1(NC(=O)C(CC2CCCCC2)NC2CNCCO2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C25H37N5O2/c26-18-25(11-13-30(19-25)17-21-9-5-2-6-10-21)29-24(31)22(15-20-7-3-1-4-8-20)28-23-16-27-12-14-32-23/h2,5-6,9-10,20,22-23,27-28H,1,3-4,7-8,11-17,19H2,(H,29,31)
InChIKeyPJGVNVHVYWPSSF-UHFFFAOYSA-N
XLogP2.15
TPSA89.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(1-benzyl-3-cyanoazetidin-3-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260421
N-[1-[[3-cyano-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260441
2-amino-N-[3-cyano-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide
CID 69418520
2-amino-N-[3-cyano-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide
CID 69420315
N-[3-cyano-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 18768952
N-(1-benzyl-3-cyanopyrrolidin-3-yl)-2-(cyclohexylmethyl)-4-[3-(methanesulfonamido)pyrrolidin-1-yl]-4-oxobutanamide
CID 18768959
[1-[[3-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]azanide
CID 154451739
2-amino-N-[3-cyano-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]-3-cyclohexylpropanamide
CID 69416465
2-amino-N-[3-cyano-1-(2-methyl-2-phenylpropyl)pyrrolidin-3-yl]-3-cyclohexylpropanamide
CID 69415760
N-[(2S)-1-[[(3S)-3-[(S)-amino(sulfanyl)methyl]-1-benzylpyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 23627196
1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carbonitrile
CID 61005933
N-[1-[[4-cyano-1-(3-phenylphenyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260432

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide?
The IUPAC name of N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide (CID 141163058) is N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide.
What is the SMILES notation for N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide?
The canonical SMILES for N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide is N#CC1(NC(=O)C(CC2CCCCC2)NC2CNCCO2)CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide?
The InChIKey is PJGVNVHVYWPSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2/c26-18-25(11-13-30(19-25)17-21-9-5-2-6-10-21)29-24(31)22(15-20-7-3-1-4-8-20)28-23-16-27-12-14-32-23/h2,5-6,9-10,20,22-23,27-28H,1,3-4,7-8,11-17,19H2,(H,29,31).
What are the key properties of N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide?
N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide has a molecular weight of 439.60 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-cyanopyrrolidin-3-yl)-3-cyclohexyl-2-(morpholin-2-ylamino)propanamide is sourced from PubChem (CID 141163058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).