N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide

C21H34N4O — CID 166330207

IUPACN-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCC1CC(NC(=O)C2CCCn3nccc32)CCN1CC1CC(C)(C)C1
InChIInChI=1S/C21H34N4O/c1-15-11-17(7-10-24(15)14-16-12-21(2,3)13-16)23-20(26)18-5-4-9-25-19(18)6-8-22-25/h6,8,15-18H,4-5,7,9-14H2,1-3H3,(H,23,26)
InChIKeyUEVWFXMKZKBJHQ-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.17
Rot. Bonds4

About N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide

N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 166330207) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID166330207
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCC1CC(NC(=O)C2CCCn3nccc32)CCN1CC1CC(C)(C)C1
InChIInChI=1S/C21H34N4O/c1-15-11-17(7-10-24(15)14-16-12-21(2,3)13-16)23-20(26)18-5-4-9-25-19(18)6-8-22-25/h6,8,15-18H,4-5,7,9-14H2,1-3H3,(H,23,26)
InChIKeyUEVWFXMKZKBJHQ-UHFFFAOYSA-N
XLogP3.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide (CID 166330207) is N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide is CC1CC(NC(=O)C2CCCn3nccc32)CCN1CC1CC(C)(C)C1.
What is the InChIKey of N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is UEVWFXMKZKBJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-15-11-17(7-10-24(15)14-16-12-21(2,3)13-16)23-20(26)18-5-4-9-25-19(18)6-8-22-25/h6,8,15-18H,4-5,7,9-14H2,1-3H3,(H,23,26).
What are the key properties of N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide?
N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 166330207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).