3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C19H23N5O2 — CID 124946295

IUPAC3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCNc1cncc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)n1
InChIInChI=1S/C19H23N5O2/c1-20-17-11-21-10-15(22-17)16-7-4-8-24(16)19(26)13-9-12-5-2-3-6-14(12)23-18(13)25/h9-11,16H,2-8H2,1H3,(H,20,22)(H,23,25)/t16-/m1/s1
InChIKeyBXFKUAUCASUERD-MRXNPFEDSA-N
MW353.43 g/mol
LogP2.06
Rot. Bonds3

About 3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 124946295) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID124946295
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCNc1cncc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)n1
InChIInChI=1S/C19H23N5O2/c1-20-17-11-21-10-15(22-17)16-7-4-8-24(16)19(26)13-9-12-5-2-3-6-14(12)23-18(13)25/h9-11,16H,2-8H2,1H3,(H,20,22)(H,23,25)/t16-/m1/s1
InChIKeyBXFKUAUCASUERD-MRXNPFEDSA-N
XLogP2.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 125007181
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175652542
3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 124971956
3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71893548
(2-cyclopropylpyrimidin-5-yl)-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 127247024
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127246960
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175653289
1,3-benzodioxol-5-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175652539
N-[4-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127247023
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 110105873
(4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124940608
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 124946295) is 3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CNc1cncc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)n1.
What is the InChIKey of 3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is BXFKUAUCASUERD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-20-17-11-21-10-15(22-17)16-7-4-8-24(16)19(26)13-9-12-5-2-3-6-14(12)23-18(13)25/h9-11,16H,2-8H2,1H3,(H,20,22)(H,23,25)/t16-/m1/s1.
What are the key properties of 3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 353.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 124946295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).