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

C22H23N5O — CID 86341973

IUPAC[3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1nc(Nc2ccccn2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C22H23N5O/c1-16-24-19(14-21(25-16)26-20-11-5-6-12-23-20)18-10-7-13-27(15-18)22(28)17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15H2,1H3,(H,23,24,25,26)
InChIKeyPMCOJTKFFKBTBC-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.94
Rot. Bonds4

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

[3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 86341973) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
PubChem CID86341973
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCc1nc(Nc2ccccn2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C22H23N5O/c1-16-24-19(14-21(25-16)26-20-11-5-6-12-23-20)18-10-7-13-27(15-18)22(28)17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15H2,1H3,(H,23,24,25,26)
InChIKeyPMCOJTKFFKBTBC-UHFFFAOYSA-N
XLogP3.94
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (CID 86341973) is [3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is Cc1nc(Nc2ccccn2)cc(C2CCCN(C(=O)c3ccccc3)C2)n1.
What is the InChIKey of [3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is PMCOJTKFFKBTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-24-19(14-21(25-16)26-20-11-5-6-12-23-20)18-10-7-13-27(15-18)22(28)17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15H2,1H3,(H,23,24,25,26).
What are the key properties of [3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
[3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 373.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 86341973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).