N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide

C14H18N4O2S — CID 113012956

IUPACN-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C14H18N4O2S/c1-2-9-21(19,20)18-13-3-4-14(17-11-13)16-10-12-5-7-15-8-6-12/h3-8,11,18H,2,9-10H2,1H3,(H,16,17)
InChIKeyATWLAOFHNWAHKN-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.24
Rot. Bonds7

About N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide

N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide (PubChem CID 113012956) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
PubChem CID113012956
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C14H18N4O2S/c1-2-9-21(19,20)18-13-3-4-14(17-11-13)16-10-12-5-7-15-8-6-12/h3-8,11,18H,2,9-10H2,1H3,(H,16,17)
InChIKeyATWLAOFHNWAHKN-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide
CID 113012955
N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide
CID 112983175
4-tert-butyl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012992
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012323
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012952
5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113027958

Frequently Asked Questions

What is the IUPAC name of N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide (CID 113012956) is N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(NCc2ccncc2)nc1.
What is the InChIKey of N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide?
The InChIKey is ATWLAOFHNWAHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-9-21(19,20)18-13-3-4-14(17-11-13)16-10-12-5-7-15-8-6-12/h3-8,11,18H,2,9-10H2,1H3,(H,16,17).
What are the key properties of N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide?
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113012956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).