2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide

C25H32N6O2 — CID 92640067

IUPAC2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)cc1Cn1cccn1
InChIInChI=1S/C25H32N6O2/c1-29(2)25(32)21-6-7-22(28-24(21)26)19-9-13-30(14-10-19)16-18-5-8-23(33-3)20(15-18)17-31-12-4-11-27-31/h4-8,11-12,15,19H,9-10,13-14,16-17H2,1-3H3,(H2,26,28)
InChIKeyDMRJGCKYBVPGLJ-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.00
Rot. Bonds7

About 2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide

2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 92640067) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID92640067
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)cc1Cn1cccn1
InChIInChI=1S/C25H32N6O2/c1-29(2)25(32)21-6-7-22(28-24(21)26)19-9-13-30(14-10-19)16-18-5-8-23(33-3)20(15-18)17-31-12-4-11-27-31/h4-8,11-12,15,19H,9-10,13-14,16-17H2,1-3H3,(H2,26,28)
InChIKeyDMRJGCKYBVPGLJ-UHFFFAOYSA-N
XLogP3.00
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-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 2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide (CID 92640067) is 2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide is COc1ccc(CN2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)cc1Cn1cccn1.
What is the InChIKey of 2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is DMRJGCKYBVPGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-29(2)25(32)21-6-7-22(28-24(21)26)19-9-13-30(14-10-19)16-18-5-8-23(33-3)20(15-18)17-31-12-4-11-27-31/h4-8,11-12,15,19H,9-10,13-14,16-17H2,1-3H3,(H2,26,28).
What are the key properties of 2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 92640067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).