[(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone

C21H22N6O — CID 125002330

IUPAC[(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CCC[C@@H]2c2ccnc(Nc3ncccc3C)c2)n1
InChIInChI=1S/C21H22N6O/c1-14-5-3-9-24-20(14)26-19-13-16(7-10-23-19)18-6-4-12-27(18)21(28)17-8-11-22-15(2)25-17/h3,5,7-11,13,18H,4,6,12H2,1-2H3,(H,23,24,26)/t18-/m1/s1
InChIKeySJPRGEZEPFXJTN-GOSISDBHSA-N
MW374.45 g/mol
LogP3.60
Rot. Bonds4

About [(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone

[(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone (PubChem CID 125002330) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
PubChem CID125002330
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CCC[C@@H]2c2ccnc(Nc3ncccc3C)c2)n1
InChIInChI=1S/C21H22N6O/c1-14-5-3-9-24-20(14)26-19-13-16(7-10-23-19)18-6-4-12-27(18)21(28)17-8-11-22-15(2)25-17/h3,5,7-11,13,18H,4,6,12H2,1-2H3,(H,23,24,26)/t18-/m1/s1
InChIKeySJPRGEZEPFXJTN-GOSISDBHSA-N
XLogP3.60
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-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
3-methyl-N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 124957204
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
2-methoxy-1-[(2S)-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835160
(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124978935
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
3-methyl-N-(4-pyrrolidin-2-yl-2-pyridinyl)pyridin-2-amine
CID 110095928
(5-methyl-3-pyridinyl)-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110111645
N-[4-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110259040
2-methyl-N-(3-methyl-2-pyridinyl)-6-[1-(2-methylpyrimidin-4-yl)azetidin-2-yl]pyrimidin-4-amine
CID 110270296
3-[2-[2-(methylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110105582
(2-ethoxy-3-pyridinyl)-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125016079

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of [(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone (CID 125002330) is [(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone is Cc1nccc(C(=O)N2CCC[C@@H]2c2ccnc(Nc3ncccc3C)c2)n1.
What is the InChIKey of [(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is SJPRGEZEPFXJTN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-5-3-9-24-20(14)26-19-13-16(7-10-23-19)18-6-4-12-27(18)21(28)17-8-11-22-15(2)25-17/h3,5,7-11,13,18H,4,6,12H2,1-2H3,(H,23,24,26)/t18-/m1/s1.
What are the key properties of [(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
[(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 374.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 125002330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).