3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide

C23H26N6O2 — CID 128968811

IUPAC3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
SMILESCn1cc(C(N)=O)c(C2CCCN(C(=O)NCc3cccc(-c4ccccn4)c3)C2)n1
InChIInChI=1S/C23H26N6O2/c1-28-15-19(22(24)30)21(27-28)18-8-5-11-29(14-18)23(31)26-13-16-6-4-7-17(12-16)20-9-2-3-10-25-20/h2-4,6-7,9-10,12,15,18H,5,8,11,13-14H2,1H3,(H2,24,30)(H,26,31)
InChIKeyMQGOKBXUTZZBDV-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.67
Rot. Bonds5

About 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide

3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 128968811) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
PubChem CID128968811
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
SMILESCn1cc(C(N)=O)c(C2CCCN(C(=O)NCc3cccc(-c4ccccn4)c3)C2)n1
InChIInChI=1S/C23H26N6O2/c1-28-15-19(22(24)30)21(27-28)18-8-5-11-29(14-18)23(31)26-13-16-6-4-7-17(12-16)20-9-2-3-10-25-20/h2-4,6-7,9-10,12,15,18H,5,8,11,13-14H2,1H3,(H2,24,30)(H,26,31)
InChIKeyMQGOKBXUTZZBDV-UHFFFAOYSA-N
XLogP2.67
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide (CID 128968811) is 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide is Cn1cc(C(N)=O)c(C2CCCN(C(=O)NCc3cccc(-c4ccccn4)c3)C2)n1.
What is the InChIKey of 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is MQGOKBXUTZZBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-28-15-19(22(24)30)21(27-28)18-8-5-11-29(14-18)23(31)26-13-16-6-4-7-17(12-16)20-9-2-3-10-25-20/h2-4,6-7,9-10,12,15,18H,5,8,11,13-14H2,1H3,(H2,24,30)(H,26,31).
What are the key properties of 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide?
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 128968811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).