2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide

C14H18N4O2S — CID 62148405

IUPAC2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NCc2ccncc2)ccn1
InChIInChI=1S/C14H18N4O2S/c1-2-6-16-14-10-13(5-9-17-14)21(19,20)18-11-12-3-7-15-8-4-12/h3-5,7-10,18H,2,6,11H2,1H3,(H,16,17)
InChIKeyNJTYMUDCENSULF-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.78
Rot. Bonds7

About 2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide

2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide (PubChem CID 62148405) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
PubChem CID62148405
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NCc2ccncc2)ccn1
InChIInChI=1S/C14H18N4O2S/c1-2-6-16-14-10-13(5-9-17-14)21(19,20)18-11-12-3-7-15-8-4-12/h3-5,7-10,18H,2,6,11H2,1H3,(H,16,17)
InChIKeyNJTYMUDCENSULF-UHFFFAOYSA-N
XLogP1.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106376666
N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62159155
N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62151053
2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide
CID 107589827
N-(dicyclopropylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62152445
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407859
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62146336
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide
CID 106900184
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
6-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62150311
N-benzyl-6-(propylamino)pyridine-3-sulfonamide
CID 62148374
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164890

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide (CID 62148405) is 2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide is CCCNc1cc(S(=O)(=O)NCc2ccncc2)ccn1.
What is the InChIKey of 2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide?
The InChIKey is NJTYMUDCENSULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-6-16-14-10-13(5-9-17-14)21(19,20)18-11-12-3-7-15-8-4-12/h3-5,7-10,18H,2,6,11H2,1H3,(H,16,17).
What are the key properties of 2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide?
2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 62148405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).