N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C20H23N5O4 — CID 176504888

IUPACN-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc(OC2CCC(NC(=O)c3nc4ncccn4n3)CC2)c1OC
InChIInChI=1S/C20H23N5O4/c1-27-15-5-3-6-16(17(15)28-2)29-14-9-7-13(8-10-14)22-19(26)18-23-20-21-11-4-12-25(20)24-18/h3-6,11-14H,7-10H2,1-2H3,(H,22,26)
InChIKeyHLMOYUCFNYTYRR-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.26
Rot. Bonds6

About N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 176504888) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID176504888
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc(OC2CCC(NC(=O)c3nc4ncccn4n3)CC2)c1OC
InChIInChI=1S/C20H23N5O4/c1-27-15-5-3-6-16(17(15)28-2)29-14-9-7-13(8-10-14)22-19(26)18-23-20-21-11-4-12-25(20)24-18/h3-6,11-14H,7-10H2,1-2H3,(H,22,26)
InChIKeyHLMOYUCFNYTYRR-UHFFFAOYSA-N
XLogP2.26
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 176500601
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,3-dimethoxybenzamide
CID 91626142
N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 125155043
N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 24870601
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633270
2-[[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 124754070
N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide
CID 72916898
N-cyclopropyl-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978329
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide
CID 175641474
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 176504888) is N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1cccc(OC2CCC(NC(=O)c3nc4ncccn4n3)CC2)c1OC.
What is the InChIKey of N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HLMOYUCFNYTYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-27-15-5-3-6-16(17(15)28-2)29-14-9-7-13(8-10-14)22-19(26)18-23-20-21-11-4-12-25(20)24-18/h3-6,11-14H,7-10H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethoxyphenoxy)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 176504888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).