cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone

C21H27N5O — CID 95820279

IUPACcyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(Nc2ccccn2)nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C21H27N5O/c1-15-13-19(24-18-10-4-5-11-22-18)25-20(23-15)17-9-6-12-26(14-17)21(27)16-7-2-3-8-16/h4-5,10-11,13,16-17H,2-3,6-9,12,14H2,1H3,(H,22,23,24,25)/t17-/m1/s1
InChIKeyYMCGWXQXJHOOEY-QGZVFWFLSA-N
MW365.48 g/mol
LogP3.82
Rot. Bonds4

About cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone

cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 95820279) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID95820279
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Namecyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(Nc2ccccn2)nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1
InChIInChI=1S/C21H27N5O/c1-15-13-19(24-18-10-4-5-11-22-18)25-20(23-15)17-9-6-12-26(14-17)21(27)16-7-2-3-8-16/h4-5,10-11,13,16-17H,2-3,6-9,12,14H2,1H3,(H,22,23,24,25)/t17-/m1/s1
InChIKeyYMCGWXQXJHOOEY-QGZVFWFLSA-N
XLogP3.82
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95820261
cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95842373
cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813574
1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 132948528
cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95842111
(3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 95842363
[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
CID 110240107
6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine
CID 110269570
6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254341
6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 95817678
2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95820268
cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264956

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone (CID 95820279) is cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone is Cc1cc(Nc2ccccn2)nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1.
What is the InChIKey of cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is YMCGWXQXJHOOEY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-13-19(24-18-10-4-5-11-22-18)25-20(23-15)17-9-6-12-26(14-17)21(27)16-7-2-3-8-16/h4-5,10-11,13,16-17H,2-3,6-9,12,14H2,1H3,(H,22,23,24,25)/t17-/m1/s1.
What are the key properties of cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone?
cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95820279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).