N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

C20H27N5O2 — CID 118450489

IUPACN-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N(C)[C@@H]3CCOC3)CC2)c1
InChIInChI=1S/C20H27N5O2/c1-15-11-22-25(13-15)18-3-7-21-12-19(18)24-8-4-16(5-9-24)20(26)23(2)17-6-10-27-14-17/h3,7,11-13,16-17H,4-6,8-10,14H2,1-2H3/t17-/m1/s1
InChIKeyWJDNKNOXGKNDJU-QGZVFWFLSA-N
MW369.47 g/mol
LogP2.04
Rot. Bonds4

About N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 118450489) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
PubChem CID118450489
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N(C)[C@@H]3CCOC3)CC2)c1
InChIInChI=1S/C20H27N5O2/c1-15-11-22-25(13-15)18-3-7-21-12-19(18)24-8-4-16(5-9-24)20(26)23(2)17-6-10-27-14-17/h3,7,11-13,16-17H,4-6,8-10,14H2,1-2H3/t17-/m1/s1
InChIKeyWJDNKNOXGKNDJU-QGZVFWFLSA-N
XLogP2.04
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (CID 118450489) is N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is Cc1cnn(-c2ccncc2N2CCC(C(=O)N(C)[C@@H]3CCOC3)CC2)c1.
What is the InChIKey of N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is WJDNKNOXGKNDJU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-11-22-25(13-15)18-3-7-21-12-19(18)24-8-4-16(5-9-24)20(26)23(2)17-6-10-27-14-17/h3,7,11-13,16-17H,4-6,8-10,14H2,1-2H3/t17-/m1/s1.
What are the key properties of N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 118450489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).