(6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone

C20H20N6O — CID 125002680

IUPAC(6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)n1
InChIInChI=1S/C20H20N6O/c1-14-4-2-5-16(24-14)20(27)26-11-3-6-17(26)15-7-8-22-18(12-15)25-19-13-21-9-10-23-19/h2,4-5,7-10,12-13,17H,3,6,11H2,1H3,(H,22,23,25)/t17-/m0/s1
InChIKeySMFGILCDZRNPRM-KRWDZBQOSA-N
MW360.42 g/mol
LogP3.30
Rot. Bonds4

About (6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone

(6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 125002680) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID125002680
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)n1
InChIInChI=1S/C20H20N6O/c1-14-4-2-5-16(24-14)20(27)26-11-3-6-17(26)15-7-8-22-18(12-15)25-19-13-21-9-10-23-19/h2,4-5,7-10,12-13,17H,3,6,11H2,1H3,(H,22,23,25)/t17-/m0/s1
InChIKeySMFGILCDZRNPRM-KRWDZBQOSA-N
XLogP3.30
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110111645
[(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125002330
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
N,N-dimethyl-2-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110097688
N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124971029
N-[[4-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095597
N-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 127245198
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110105582

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone (CID 125002680) is (6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone is Cc1cccc(C(=O)N2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is SMFGILCDZRNPRM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N6O/c1-14-4-2-5-16(24-14)20(27)26-11-3-6-17(26)15-7-8-22-18(12-15)25-19-13-21-9-10-23-19/h2,4-5,7-10,12-13,17H,3,6,11H2,1H3,(H,22,23,25)/t17-/m0/s1.
What are the key properties of (6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
(6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 360.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125002680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).