N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide

C20H29N7O4 — CID 4984346

IUPACN-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(CC(N)=O)C(=O)C1C(NC(=O)NC2CCCCC2)CCN1C(=O)c1cnccn1
InChIInChI=1S/C20H29N7O4/c1-26(12-16(21)28)19(30)17-14(25-20(31)24-13-5-3-2-4-6-13)7-10-27(17)18(29)15-11-22-8-9-23-15/h8-9,11,13-14,17H,2-7,10,12H2,1H3,(H2,21,28)(H2,24,25,31)
InChIKeyHREMOINXOLDNDE-UHFFFAOYSA-N
MW431.50 g/mol
LogP-0.36
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide

N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 4984346) has the molecular formula C20H29N7O4 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID4984346
Molecular FormulaC20H29N7O4
Molecular Weight431.50 g/mol
Exact Mass431.23
IUPAC NameN-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(CC(N)=O)C(=O)C1C(NC(=O)NC2CCCCC2)CCN1C(=O)c1cnccn1
InChIInChI=1S/C20H29N7O4/c1-26(12-16(21)28)19(30)17-14(25-20(31)24-13-5-3-2-4-6-13)7-10-27(17)18(29)15-11-22-8-9-23-15/h8-9,11,13-14,17H,2-7,10,12H2,1H3,(H2,21,28)(H2,24,25,31)
InChIKeyHREMOINXOLDNDE-UHFFFAOYSA-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

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Related Compounds

(2R,3S)-N-(2-amino-2-oxoethyl)-N-methyl-3-(prop-2-enylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 162805461
(2R,4S)-N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 162860064
N-(4-amino-4-oxobutyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 3854993
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
N-(2-amino-2-oxoethyl)-4-(cyclohexylcarbamoylamino)-1-(3,3-dimethylbutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 3751797
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
(2S,3S)-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 11882082
(2S,3S)-N-[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-(prop-2-enylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 11882063
methyl 1-acetyl-3-(cyclohexylcarbamoylamino)pyrrolidine-2-carboxylate
CID 73148466
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(prop-2-enylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 3742438

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide (CID 4984346) is N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide is CN(CC(N)=O)C(=O)C1C(NC(=O)NC2CCCCC2)CCN1C(=O)c1cnccn1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HREMOINXOLDNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O4/c1-26(12-16(21)28)19(30)17-14(25-20(31)24-13-5-3-2-4-6-13)7-10-27(17)18(29)15-11-22-8-9-23-15/h8-9,11,13-14,17H,2-7,10,12H2,1H3,(H2,21,28)(H2,24,25,31).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide?
N-(2-amino-2-oxoethyl)-3-(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 N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-N-methyl-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4984346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).