6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

C19H29N5O2 — CID 42324912

IUPAC6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCCCCN(C)Cc1ccc(C(=O)NCc2c(C)nn(C)c2C)c(=O)[nH]1
InChIInChI=1S/C19H29N5O2/c1-6-7-10-23(4)12-15-8-9-16(19(26)21-15)18(25)20-11-17-13(2)22-24(5)14(17)3/h8-9H,6-7,10-12H2,1-5H3,(H,20,25)(H,21,26)
InChIKeyZDDBGRXTKOSQMG-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.89
Rot. Bonds8

About 6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 42324912) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID42324912
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCCCCN(C)Cc1ccc(C(=O)NCc2c(C)nn(C)c2C)c(=O)[nH]1
InChIInChI=1S/C19H29N5O2/c1-6-7-10-23(4)12-15-8-9-16(19(26)21-15)18(25)20-11-17-13(2)22-24(5)14(17)3/h8-9H,6-7,10-12H2,1-5H3,(H,20,25)(H,21,26)
InChIKeyZDDBGRXTKOSQMG-UHFFFAOYSA-N
XLogP1.89
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-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 6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (CID 42324912) is 6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is CCCCN(C)Cc1ccc(C(=O)NCc2c(C)nn(C)c2C)c(=O)[nH]1.
What is the InChIKey of 6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is ZDDBGRXTKOSQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-6-7-10-23(4)12-15-8-9-16(19(26)21-15)18(25)20-11-17-13(2)22-24(5)14(17)3/h8-9H,6-7,10-12H2,1-5H3,(H,20,25)(H,21,26).
What are the key properties of 6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[butyl(methyl)amino]methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42324912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).