1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide

C23H30N6O2 — CID 648689

IUPAC1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCc1c(C)nc2ncnn2c1N1CCCC(C(=O)NCCc2ccc(OC)cc2)C1
InChIInChI=1S/C23H30N6O2/c1-4-20-16(2)27-23-25-15-26-29(23)22(20)28-13-5-6-18(14-28)21(30)24-12-11-17-7-9-19(31-3)10-8-17/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,24,30)
InChIKeyCJPFOCPFRGONMB-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.58
Rot. Bonds7

About 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide

1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 648689) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID648689
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCc1c(C)nc2ncnn2c1N1CCCC(C(=O)NCCc2ccc(OC)cc2)C1
InChIInChI=1S/C23H30N6O2/c1-4-20-16(2)27-23-25-15-26-29(23)22(20)28-13-5-6-18(14-28)21(30)24-12-11-17-7-9-19(31-3)10-8-17/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,24,30)
InChIKeyCJPFOCPFRGONMB-UHFFFAOYSA-N
XLogP2.58
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 56835771
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
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(R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one
CID 73441661
2-PropenaMide, N-[cis-4-[4-aMino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyriMidin-1-yl]cyclohexyl]-
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CID 71625545
N-(4-methoxyphenyl)-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
CID 9551399
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CID 42618166
[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone
CID 122432650

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide (CID 648689) is 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide is CCc1c(C)nc2ncnn2c1N1CCCC(C(=O)NCCc2ccc(OC)cc2)C1.
What is the InChIKey of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is CJPFOCPFRGONMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-4-20-16(2)27-23-25-15-26-29(23)22(20)28-13-5-6-18(14-28)21(30)24-12-11-17-7-9-19(31-3)10-8-17/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,24,30).
What are the key properties of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 648689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).