N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide

C18H24N4O2 — CID 165425677

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ccc(C)c(OCCN(C)C(=O)c2n[nH]c3c2CCNC3)c1
InChIInChI=1S/C18H24N4O2/c1-12-4-5-13(2)16(10-12)24-9-8-22(3)18(23)17-14-6-7-19-11-15(14)20-21-17/h4-5,10,19H,6-9,11H2,1-3H3,(H,20,21)
InChIKeyJLTXYGMEBJCXFY-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide

N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 165425677) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID165425677
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ccc(C)c(OCCN(C)C(=O)c2n[nH]c3c2CCNC3)c1
InChIInChI=1S/C18H24N4O2/c1-12-4-5-13(2)16(10-12)24-9-8-22(3)18(23)17-14-6-7-19-11-15(14)20-21-17/h4-5,10,19H,6-9,11H2,1-3H3,(H,20,21)
InChIKeyJLTXYGMEBJCXFY-UHFFFAOYSA-N
XLogP1.82
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 121229497
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165425789
2-[2-(2,5-dimethylphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915450
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 46990434
4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560133
N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 35413373
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-6-(methyl-methylidene-oxo-λ6-sulfanyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 160776482
2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154594
N-[2-(2,5-dimethylphenoxy)ethyl]-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 50951919
3-(2,5-dimethylphenoxy)-N-methyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine
CID 56898479

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 165425677) is N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide is Cc1ccc(C)c(OCCN(C)C(=O)c2n[nH]c3c2CCNC3)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is JLTXYGMEBJCXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-4-5-13(2)16(10-12)24-9-8-22(3)18(23)17-14-6-7-19-11-15(14)20-21-17/h4-5,10,19H,6-9,11H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 165425677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).