N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C19H22N6O2 — CID 47090328

IUPACN-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3ncccc3OCC3CCCCC3)nn12
InChIInChI=1S/C19H22N6O2/c1-13-9-11-21-19-23-17(24-25(13)19)18(26)22-16-15(8-5-10-20-16)27-12-14-6-3-2-4-7-14/h5,8-11,14H,2-4,6-7,12H2,1H3,(H,20,22,26)
InChIKeyXNNVNVQPOMSQLY-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.04
Rot. Bonds5

About N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 47090328) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID47090328
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3ncccc3OCC3CCCCC3)nn12
InChIInChI=1S/C19H22N6O2/c1-13-9-11-21-19-23-17(24-25(13)19)18(26)22-16-15(8-5-10-20-16)27-12-14-6-3-2-4-7-14/h5,8-11,14H,2-4,6-7,12H2,1H3,(H,20,22,26)
InChIKeyXNNVNVQPOMSQLY-UHFFFAOYSA-N
XLogP3.04
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 47090328) is N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3ncccc3OCC3CCCCC3)nn12.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XNNVNVQPOMSQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-9-11-21-19-23-17(24-25(13)19)18(26)22-16-15(8-5-10-20-16)27-12-14-6-3-2-4-7-14/h5,8-11,14H,2-4,6-7,12H2,1H3,(H,20,22,26).
What are the key properties of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-2-pyridinyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 47090328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).