N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide

C20H25N7O2 — CID 166078727

IUPACN-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(c1nc(Nc2cn3ncnc3cc2C)ncc1C)C1CCOCC1
InChIInChI=1S/C20H25N7O2/c1-4-18(28)27(15-5-7-29-8-6-15)19-14(3)10-21-20(25-19)24-16-11-26-17(9-13(16)2)22-12-23-26/h9-12,15H,4-8H2,1-3H3,(H,21,24,25)
InChIKeySCDKVGRKXPVUKE-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.80
Rot. Bonds5

About N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide

N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide (PubChem CID 166078727) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide
PubChem CID166078727
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(c1nc(Nc2cn3ncnc3cc2C)ncc1C)C1CCOCC1
InChIInChI=1S/C20H25N7O2/c1-4-18(28)27(15-5-7-29-8-6-15)19-14(3)10-21-20(25-19)24-16-11-26-17(9-13(16)2)22-12-23-26/h9-12,15H,4-8H2,1-3H3,(H,21,24,25)
InChIKeySCDKVGRKXPVUKE-UHFFFAOYSA-N
XLogP2.80
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide with MolForge

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Related Compounds

N-[5-methyl-2-[[4-methyl-6-(methylamino)-3-pyridinyl]amino]pyrimidin-4-yl]-N-(oxan-4-yl)acetamide
CID 167181375
3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365359
7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-[(3S)-thiolan-3-yl]purin-8-one;propane
CID 176918948
8-imino-7-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-9-(oxan-4-yl)purin-2-amine
CID 162352716
4-[7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carboxamide
CID 162680352
N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide
CID 166078736
bis(3-methyl-1-(2-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(4-[3-methyl-6-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxepan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine)
CID 167707354
5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,4'-oxepane]-2-amine
CID 167163625
7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(4-oxaspiro[2.5]octan-7-yl)purin-8-one
CID 164544811
8-(1,1-dimethylthian-4-yl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 176919026
5-cyclohexyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7,8-dihydropurino[7,8-a]imidazol-3-amine
CID 166810590
4-[7-(fluoromethyl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-8-oxopurin-9-yl]oxane-4-carbonitrile
CID 172715716

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide (CID 166078727) is N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide is CCC(=O)N(c1nc(Nc2cn3ncnc3cc2C)ncc1C)C1CCOCC1.
What is the InChIKey of N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is SCDKVGRKXPVUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-4-18(28)27(15-5-7-29-8-6-15)19-14(3)10-21-20(25-19)24-16-11-26-17(9-13(16)2)22-12-23-26/h9-12,15H,4-8H2,1-3H3,(H,21,24,25).
What are the key properties of N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide?
N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 395.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrimidin-4-yl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 166078727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).