N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C19H18N6O2 — CID 4533251

IUPACN-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)C2=C(C)Nc3ncnn3C2c2ccccn2)cc1
InChIInChI=1S/C19H18N6O2/c1-12-16(18(26)24-13-6-8-14(27-2)9-7-13)17(15-5-3-4-10-20-15)25-19(23-12)21-11-22-25/h3-11,17H,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyXAGRFKFUCPALNV-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.61
Rot. Bonds4

About N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4533251) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID4533251
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)C2=C(C)Nc3ncnn3C2c2ccccn2)cc1
InChIInChI=1S/C19H18N6O2/c1-12-16(18(26)24-13-6-8-14(27-2)9-7-13)17(15-5-3-4-10-20-15)25-19(23-12)21-11-22-25/h3-11,17H,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyXAGRFKFUCPALNV-UHFFFAOYSA-N
XLogP2.61
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 4533251) is N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(NC(=O)C2=C(C)Nc3ncnn3C2c2ccccn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is XAGRFKFUCPALNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12-16(18(26)24-13-6-8-14(27-2)9-7-13)17(15-5-3-4-10-20-15)25-19(23-12)21-11-22-25/h3-11,17H,1-2H3,(H,24,26)(H,21,22,23).
What are the key properties of N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4533251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).