[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C21H22N6O — CID 110239936

IUPAC[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCNc1cc(C2CCCN(C(=O)c3cccnc3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H22N6O/c1-22-19-12-18(25-20(26-19)15-6-9-23-10-7-15)17-5-3-11-27(14-17)21(28)16-4-2-8-24-13-16/h2,4,6-10,12-13,17H,3,5,11,14H2,1H3,(H,22,25,26)
InChIKeyRXKBIZQOXIVMGP-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.00
Rot. Bonds4

About [3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110239936) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110239936
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCNc1cc(C2CCCN(C(=O)c3cccnc3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H22N6O/c1-22-19-12-18(25-20(26-19)15-6-9-23-10-7-15)17-5-3-11-27(14-17)21(28)16-4-2-8-24-13-16/h2,4,6-10,12-13,17H,3,5,11,14H2,1H3,(H,22,25,26)
InChIKeyRXKBIZQOXIVMGP-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110239982
2,2-dimethyl-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92551701
1-[4-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548954
2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92610466
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110239921
(5-chloro-1-benzofuran-2-yl)-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 92610390
1-[(3S)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 92610461
[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240084
pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110214397
2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110240019
2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92610382
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388

Frequently Asked Questions

What is the IUPAC name of [3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 110239936) is [3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone is CNc1cc(C2CCCN(C(=O)c3cccnc3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of [3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is RXKBIZQOXIVMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-22-19-12-18(25-20(26-19)15-6-9-23-10-7-15)17-5-3-11-27(14-17)21(28)16-4-2-8-24-13-16/h2,4,6-10,12-13,17H,3,5,11,14H2,1H3,(H,22,25,26).
What are the key properties of [3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 374.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110239936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).