[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone

C21H21N5O2 — CID 141300393

IUPAC[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone
SMILESNc1cnc(-c2cccnc2)nc1Oc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H21N5O2/c22-18-14-24-19(16-5-4-10-23-13-16)25-20(18)28-17-8-6-15(7-9-17)21(27)26-11-2-1-3-12-26/h4-10,13-14H,1-3,11-12,22H2
InChIKeyDGHLVELWOMYRJO-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.54
Rot. Bonds4

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

[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone (PubChem CID 141300393) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is [4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone
PubChem CID141300393
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone
SMILESNc1cnc(-c2cccnc2)nc1Oc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H21N5O2/c22-18-14-24-19(16-5-4-10-23-13-16)25-20(18)28-17-8-6-15(7-9-17)21(27)26-11-2-1-3-12-26/h4-10,13-14H,1-3,11-12,22H2
InChIKeyDGHLVELWOMYRJO-UHFFFAOYSA-N
XLogP3.54
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxybenzoate
CID 141300401
benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate
CID 58247431
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 70671721
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
[4-(3-chlorophenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670092
(4-propoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808477
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 70767205

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone (CID 141300393) is [4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone is Nc1cnc(-c2cccnc2)nc1Oc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of [4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone?
The InChIKey is DGHLVELWOMYRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-18-14-24-19(16-5-4-10-23-13-16)25-20(18)28-17-8-6-15(7-9-17)21(27)26-11-2-1-3-12-26/h4-10,13-14H,1-3,11-12,22H2.
What are the key properties of [4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone?
[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone has a molecular weight of 375.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 141300393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).