2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone

C11H16N4O — CID 71641602

IUPAC2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone
SMILESCN(CC(=O)c1cnccn1)[C@@H]1CCNC1
InChIInChI=1S/C11H16N4O/c1-15(9-2-3-12-6-9)8-11(16)10-7-13-4-5-14-10/h4-5,7,9,12H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyFAQQBTQDTXVANT-SECBINFHSA-N
MW220.28 g/mol
LogP-0.05
Rot. Bonds4

About 2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone

2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone (PubChem CID 71641602) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone
PubChem CID71641602
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone
SMILESCN(CC(=O)c1cnccn1)[C@@H]1CCNC1
InChIInChI=1S/C11H16N4O/c1-15(9-2-3-12-6-9)8-11(16)10-7-13-4-5-14-10/h4-5,7,9,12H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyFAQQBTQDTXVANT-SECBINFHSA-N
XLogP-0.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71641585
(3S)-N-methyl-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71641762
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602062
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide;hydrochloride
CID 71641434
2-piperidin-4-yl-1-pyrazin-2-ylethanone
CID 116559954
1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride
CID 71645191
1-pyrazin-2-yl-2-[(3R)-pyrrolidin-3-yl]oxyethanone;hydrochloride
CID 71645143
1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone
CID 97165756
pyrazin-2-yl(pyrrolidin-3-yl)methanone
CID 116568351
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
CID 71641614
(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone
CID 130516301
N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide
CID 71642090

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone?
The IUPAC name of 2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone (CID 71641602) is 2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone is CN(CC(=O)c1cnccn1)[C@@H]1CCNC1.
What is the InChIKey of 2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone?
The InChIKey is FAQQBTQDTXVANT-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15(9-2-3-12-6-9)8-11(16)10-7-13-4-5-14-10/h4-5,7,9,12H,2-3,6,8H2,1H3/t9-/m1/s1.
What are the key properties of 2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone?
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone has a molecular weight of 220.28 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3R)-pyrrolidin-3-yl]amino]-1-pyrazin-2-ylethanone is sourced from PubChem (CID 71641602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).