N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C19H31N5O2 — CID 119641632

IUPACN-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C
InChIInChI=1S/C19H31N5O2/c1-7-19(20,8-2)11-21-15(25)10-9-14-12(3)16-17(22-13(14)4)24(5)23-18(16)26-6/h7-11,20H2,1-6H3,(H,21,25)
InChIKeyMKRCGZOHCWYSIC-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.16
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 119641632) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID119641632
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCCC(N)(CC)CNC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C
InChIInChI=1S/C19H31N5O2/c1-7-19(20,8-2)11-21-15(25)10-9-14-12(3)16-17(22-13(14)4)24(5)23-18(16)26-6/h7-11,20H2,1-6H3,(H,21,25)
InChIKeyMKRCGZOHCWYSIC-UHFFFAOYSA-N
XLogP2.16
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]propanoic acid
CID 119351297
N-[3-(aminomethyl)pentan-3-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide;dihydrochloride
CID 119570237
N-(3-hydroxypropyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 78861649
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]propanamide
CID 39607211
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55615609
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 119607128
N-[4-(ethylsulfonylamino)phenyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55960855
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 78862004
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55908067
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55723342
N-cyclohexyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 38016467

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 119641632) is N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is CCC(N)(CC)CNC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is MKRCGZOHCWYSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-7-19(20,8-2)11-21-15(25)10-9-14-12(3)16-17(22-13(14)4)24(5)23-18(16)26-6/h7-11,20H2,1-6H3,(H,21,25).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 361.49 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 119641632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).