(2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide

C20H29N7O4 — CID 162860064

IUPAC(2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(CC(N)=O)C(=O)[C@H]1C[C@H](NC(=O)NC2CCCCC2)CN1C(=O)c1cnccn1
InChIInChI=1S/C20H29N7O4/c1-26(12-17(21)28)19(30)16-9-14(25-20(31)24-13-5-3-2-4-6-13)11-27(16)18(29)15-10-22-7-8-23-15/h7-8,10,13-14,16H,2-6,9,11-12H2,1H3,(H2,21,28)(H2,24,25,31)/t14-,16+/m0/s1
InChIKeyMUIILENSVPEDJH-GOEBONIOSA-N
MW431.50 g/mol
LogP-0.36
Rot. Bonds6

About (2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide

(2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 162860064) has the molecular formula C20H29N7O4 and a molecular weight of 431.50 g/mol. Its IUPAC name is (2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID162860064
Molecular FormulaC20H29N7O4
Molecular Weight431.50 g/mol
Exact Mass431.23
IUPAC Name(2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(CC(N)=O)C(=O)[C@H]1C[C@H](NC(=O)NC2CCCCC2)CN1C(=O)c1cnccn1
InChIInChI=1S/C20H29N7O4/c1-26(12-17(21)28)19(30)16-9-14(25-20(31)24-13-5-3-2-4-6-13)11-27(16)18(29)15-10-22-7-8-23-15/h7-8,10,13-14,16H,2-6,9,11-12H2,1H3,(H2,21,28)(H2,24,25,31)/t14-,16+/m0/s1
InChIKeyMUIILENSVPEDJH-GOEBONIOSA-N
XLogP-0.36
TPSA150.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-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 (2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide (CID 162860064) is (2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide is CN(CC(N)=O)C(=O)[C@H]1C[C@H](NC(=O)NC2CCCCC2)CN1C(=O)c1cnccn1.
What is the InChIKey of (2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is MUIILENSVPEDJH-GOEBONIOSA-N. The full InChI is InChI=1S/C20H29N7O4/c1-26(12-17(21)28)19(30)16-9-14(25-20(31)24-13-5-3-2-4-6-13)11-27(16)18(29)15-10-22-7-8-23-15/h7-8,10,13-14,16H,2-6,9,11-12H2,1H3,(H2,21,28)(H2,24,25,31)/t14-,16+/m0/s1.
What are the key properties of (2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
(2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 431.50 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 162860064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).