N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide

C13H19N5O2S — CID 62158845

IUPACN-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCc2cnn(C)c2)cn1
InChIInChI=1S/C13H19N5O2S/c1-3-6-14-13-5-4-12(9-15-13)21(19,20)17-8-11-7-16-18(2)10-11/h4-5,7,9-10,17H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyMKCLYOQLBUEAQO-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.12
Rot. Bonds7

About N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide

N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 62158845) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
PubChem CID62158845
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCc2cnn(C)c2)cn1
InChIInChI=1S/C13H19N5O2S/c1-3-6-14-13-5-4-12(9-15-13)21(19,20)17-8-11-7-16-18(2)10-11/h4-5,7,9-10,17H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyMKCLYOQLBUEAQO-UHFFFAOYSA-N
XLogP1.12
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide (CID 62158845) is N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)NCc2cnn(C)c2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is MKCLYOQLBUEAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-6-14-13-5-4-12(9-15-13)21(19,20)17-8-11-7-16-18(2)10-11/h4-5,7,9-10,17H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 309.40 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62158845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).