5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C18H23N5O2 — CID 118789399

IUPAC5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(CC(=O)Nc1cccc(C)c1C)CC2
InChIInChI=1S/C18H23N5O2/c1-11-5-4-6-14(12(11)2)20-16(24)10-23-8-7-15-13(9-23)17(22-21-15)18(25)19-3/h4-6H,7-10H2,1-3H3,(H,19,25)(H,20,24)(H,21,22)
InChIKeyOULFUHPQGYRVHT-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.38
Rot. Bonds4

About 5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118789399) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118789399
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(CC(=O)Nc1cccc(C)c1C)CC2
InChIInChI=1S/C18H23N5O2/c1-11-5-4-6-14(12(11)2)20-16(24)10-23-8-7-15-13(9-23)17(22-21-15)18(25)19-3/h4-6H,7-10H2,1-3H3,(H,19,25)(H,20,24)(H,21,22)
InChIKeyOULFUHPQGYRVHT-UHFFFAOYSA-N
XLogP1.38
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 118789399) is 5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CNC(=O)c1n[nH]c2c1CN(CC(=O)Nc1cccc(C)c1C)CC2.
What is the InChIKey of 5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is OULFUHPQGYRVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-5-4-6-14(12(11)2)20-16(24)10-23-8-7-15-13(9-23)17(22-21-15)18(25)19-3/h4-6H,7-10H2,1-3H3,(H,19,25)(H,20,24)(H,21,22).
What are the key properties of 5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118789399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).