2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C22H24N6O2 — CID 2947392

IUPAC2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2cccnc2)n2nc(CCCO)nc2N1
InChIInChI=1S/C22H24N6O2/c1-14-7-3-4-9-17(14)25-21(30)19-15(2)24-22-26-18(10-6-12-29)27-28(22)20(19)16-8-5-11-23-13-16/h3-5,7-9,11,13,20,29H,6,10,12H2,1-2H3,(H,25,30)(H,24,26,27)
InChIKeyNILCLVBKMCUPGE-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.83
Rot. Bonds6

About 2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2947392) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2947392
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2cccnc2)n2nc(CCCO)nc2N1
InChIInChI=1S/C22H24N6O2/c1-14-7-3-4-9-17(14)25-21(30)19-15(2)24-22-26-18(10-6-12-29)27-28(22)20(19)16-8-5-11-23-13-16/h3-5,7-9,11,13,20,29H,6,10,12H2,1-2H3,(H,25,30)(H,24,26,27)
InChIKeyNILCLVBKMCUPGE-UHFFFAOYSA-N
XLogP2.83
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylphenyl)-6-(1H-1,2,4-triazol-1-yl)nicotinamide
CID 1478849
N,N-diethyl-5-methyl-7-(3-pyridinyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2983610
7-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2998230
2-[4-(Dimethylamino)phenyl]-6,6-dimethyl-9-(pyridin-3-YL)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-B]quinazolin-8-one
CID 3237174
5-Methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3239147
5-methyl-N-pyridin-2-yl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3239717
5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3240933
5-Methyl-7-phenyl-2-pyridin-4-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3242639
2-(2-Chlorophenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3311553
2-(pyridin-4-ylmethylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 72700883
Ethyl 2-methyl-5-propyl-7-(pyridin-3-yl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2983524
5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3238176

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 2947392) is 2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2cccnc2)n2nc(CCCO)nc2N1.
What is the InChIKey of 2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NILCLVBKMCUPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-7-3-4-9-17(14)25-21(30)19-15(2)24-22-26-18(10-6-12-29)27-28(22)20(19)16-8-5-11-23-13-16/h3-5,7-9,11,13,20,29H,6,10,12H2,1-2H3,(H,25,30)(H,24,26,27).
What are the key properties of 2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2947392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).