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

C18H22N6O — CID 56868831

IUPACN-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cccnc1CC(C)NC(=O)c1cc(C(C)C)n2ncnc2n1
InChIInChI=1S/C18H22N6O/c1-11(2)16-9-15(23-18-20-10-21-24(16)18)17(25)22-13(4)8-14-12(3)6-5-7-19-14/h5-7,9-11,13H,8H2,1-4H3,(H,22,25)
InChIKeyAQSUAQOFRNKVCP-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.31
Rot. Bonds5

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

N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 56868831) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID56868831
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cccnc1CC(C)NC(=O)c1cc(C(C)C)n2ncnc2n1
InChIInChI=1S/C18H22N6O/c1-11(2)16-9-15(23-18-20-10-21-24(16)18)17(25)22-13(4)8-14-12(3)6-5-7-19-14/h5-7,9-11,13H,8H2,1-4H3,(H,22,25)
InChIKeyAQSUAQOFRNKVCP-UHFFFAOYSA-N
XLogP2.31
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77082076
5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 125173476
N-[(1S,2R)-2-aminocyclobutyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 56906980
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 124852129
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-3-pyrazol-1-ylbenzamide
CID 56743823
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid
CID 126439867
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77080556
2-(dimethylamino)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyridine-3-carboxamide
CID 125166898
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-2H-benzotriazole-5-carboxamide
CID 99973339
N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 72860317
1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72844137

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 56868831) is N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cccnc1CC(C)NC(=O)c1cc(C(C)C)n2ncnc2n1.
What is the InChIKey of N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is AQSUAQOFRNKVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11(2)16-9-15(23-18-20-10-21-24(16)18)17(25)22-13(4)8-14-12(3)6-5-7-19-14/h5-7,9-11,13H,8H2,1-4H3,(H,22,25).
What are the key properties of N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 56868831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).