N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide

C14H22N4O2 — CID 155799700

IUPACN-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide
SMILESCn1ccnc(N2CCC(C(=O)NC(C)(C)C)C2)c1=O
InChIInChI=1S/C14H22N4O2/c1-14(2,3)16-12(19)10-5-7-18(9-10)11-13(20)17(4)8-6-15-11/h6,8,10H,5,7,9H2,1-4H3,(H,16,19)
InChIKeyGLZZWNRFJQBCLP-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.52
Rot. Bonds2

About N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide

N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide (PubChem CID 155799700) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide
PubChem CID155799700
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide
SMILESCn1ccnc(N2CCC(C(=O)NC(C)(C)C)C2)c1=O
InChIInChI=1S/C14H22N4O2/c1-14(2,3)16-12(19)10-5-7-18(9-10)11-13(20)17(4)8-6-15-11/h6,8,10H,5,7,9H2,1-4H3,(H,16,19)
InChIKeyGLZZWNRFJQBCLP-UHFFFAOYSA-N
XLogP0.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
1-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 63267799
N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172899385
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 166602271
N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890921

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide (CID 155799700) is N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide is Cn1ccnc(N2CCC(C(=O)NC(C)(C)C)C2)c1=O.
What is the InChIKey of N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is GLZZWNRFJQBCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)16-12(19)10-5-7-18(9-10)11-13(20)17(4)8-6-15-11/h6,8,10H,5,7,9H2,1-4H3,(H,16,19).
What are the key properties of N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide?
N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155799700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).