6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide

C17H19N5O2S — CID 42431294

IUPAC6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccn[nH]1)Cc1ccc(C(=O)NCc2cccs2)c(=O)[nH]1
InChIInChI=1S/C17H19N5O2S/c1-22(11-13-6-7-19-21-13)10-12-4-5-15(17(24)20-12)16(23)18-9-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,18,23)(H,19,21)(H,20,24)
InChIKeyRQRBXGDUAWHSPS-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.72
Rot. Bonds7

About 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide

6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 42431294) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID42431294
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccn[nH]1)Cc1ccc(C(=O)NCc2cccs2)c(=O)[nH]1
InChIInChI=1S/C17H19N5O2S/c1-22(11-13-6-7-19-21-13)10-12-4-5-15(17(24)20-12)16(23)18-9-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,18,23)(H,19,21)(H,20,24)
InChIKeyRQRBXGDUAWHSPS-UHFFFAOYSA-N
XLogP1.72
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide (CID 42431294) is 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide is CN(Cc1ccn[nH]1)Cc1ccc(C(=O)NCc2cccs2)c(=O)[nH]1.
What is the InChIKey of 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is RQRBXGDUAWHSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-22(11-13-6-7-19-21-13)10-12-4-5-15(17(24)20-12)16(23)18-9-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,18,23)(H,19,21)(H,20,24).
What are the key properties of 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide?
6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42431294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).