[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C22H23N5O2 — CID 110248834

IUPAC[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(-c2cnc(N)nc2C2CCCN(C(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-18-8-6-15(7-9-18)19-13-25-22(23)26-20(19)17-5-3-11-27(14-17)21(28)16-4-2-10-24-12-16/h2,4,6-10,12-13,17H,3,5,11,14H2,1H3,(H2,23,25,26)
InChIKeyPRSWDIMJBCAEBZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.15
Rot. Bonds4

About [3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110248834) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110248834
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(-c2cnc(N)nc2C2CCCN(C(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-18-8-6-15(7-9-18)19-13-25-22(23)26-20(19)17-5-3-11-27(14-17)21(28)16-4-2-10-24-12-16/h2,4,6-10,12-13,17H,3,5,11,14H2,1H3,(H2,23,25,26)
InChIKeyPRSWDIMJBCAEBZ-UHFFFAOYSA-N
XLogP3.15
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 110248834) is [3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone is COc1ccc(-c2cnc(N)nc2C2CCCN(C(=O)c3cccnc3)C2)cc1.
What is the InChIKey of [3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is PRSWDIMJBCAEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-18-8-6-15(7-9-18)19-13-25-22(23)26-20(19)17-5-3-11-27(14-17)21(28)16-4-2-10-24-12-16/h2,4,6-10,12-13,17H,3,5,11,14H2,1H3,(H2,23,25,26).
What are the key properties of [3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 389.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110248834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).