(3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C14H21N5O — CID 129427472

IUPAC(3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1nccnc1N
InChIInChI=1S/C14H21N5O/c1-18-8-2-4-10(18)11-5-3-9-19(11)14(20)12-13(15)17-7-6-16-12/h6-7,10-11H,2-5,8-9H2,1H3,(H2,15,17)/t10-,11+/m0/s1
InChIKeyBPDZCVYHKYEVAC-WDEREUQCSA-N
MW275.36 g/mol
LogP0.76
Rot. Bonds2

About (3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 129427472) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID129427472
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1nccnc1N
InChIInChI=1S/C14H21N5O/c1-18-8-2-4-10(18)11-5-3-9-19(11)14(20)12-13(15)17-7-6-16-12/h6-7,10-11H,2-5,8-9H2,1H3,(H2,15,17)/t10-,11+/m0/s1
InChIKeyBPDZCVYHKYEVAC-WDEREUQCSA-N
XLogP0.76
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
(2R)-1-(3-aminopyrazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371307
[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminopyrazin-2-yl)methanone
CID 97092506
(2R)-1-(3-aminopyrazine-2-carbonyl)piperidine-2-carboxylic acid
CID 154745570
(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95307308
(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56780200
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95328917
(3-aminopyrazin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487560
(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607677
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 129427496
5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 167804825
3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 47293314

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 129427472) is (3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1nccnc1N.
What is the InChIKey of (3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is BPDZCVYHKYEVAC-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21N5O/c1-18-8-2-4-10(18)11-5-3-9-19(11)14(20)12-13(15)17-7-6-16-12/h6-7,10-11H,2-5,8-9H2,1H3,(H2,15,17)/t10-,11+/m0/s1.
What are the key properties of (3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 275.36 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129427472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).