(5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone

C20H20N6O — CID 110111645

IUPAC(5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1cncc(C(=O)N2CCCC2c2ccnc(Nc3cnccn3)c2)c1
InChIInChI=1S/C20H20N6O/c1-14-9-16(12-22-11-14)20(27)26-8-2-3-17(26)15-4-5-23-18(10-15)25-19-13-21-6-7-24-19/h4-7,9-13,17H,2-3,8H2,1H3,(H,23,24,25)
InChIKeyDNNHUJHJHILKKB-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.30
Rot. Bonds4

About (5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone

(5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 110111645) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID110111645
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1cncc(C(=O)N2CCCC2c2ccnc(Nc3cnccn3)c2)c1
InChIInChI=1S/C20H20N6O/c1-14-9-16(12-22-11-14)20(27)26-8-2-3-17(26)15-4-5-23-18(10-15)25-19-13-21-6-7-24-19/h4-7,9-13,17H,2-3,8H2,1H3,(H,23,24,25)
InChIKeyDNNHUJHJHILKKB-UHFFFAOYSA-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 (5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-methyl-2-pyridinyl)-[(2S)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125002680
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
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
N-[4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 127245198
(6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110105665
N-[4-[(2S)-2-pyrazin-2-ylpyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124966721
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124948233
N-[[4-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095597
3-methyl-5-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 118741479
[(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125002330
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone (CID 110111645) is (5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone is Cc1cncc(C(=O)N2CCCC2c2ccnc(Nc3cnccn3)c2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is DNNHUJHJHILKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-14-9-16(12-22-11-14)20(27)26-8-2-3-17(26)15-4-5-23-18(10-15)25-19-13-21-6-7-24-19/h4-7,9-13,17H,2-3,8H2,1H3,(H,23,24,25).
What are the key properties of (5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone?
(5-methyl-3-pyridinyl)-[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 (5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110111645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).