N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide

C14H18N4O2S — CID 103341074

IUPACN,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide
SMILESCc1cnccc1CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C14H18N4O2S/c1-11-8-15-7-6-12(11)9-16-14-5-4-13(10-17-14)21(19,20)18(2)3/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyMRXUWTCATADLTO-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.65
Rot. Bonds5

About N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide

N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide (PubChem CID 103341074) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide
PubChem CID103341074
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide
SMILESCc1cnccc1CNc1ccc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C14H18N4O2S/c1-11-8-15-7-6-12(11)9-16-14-5-4-13(10-17-14)21(19,20)18(2)3/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyMRXUWTCATADLTO-UHFFFAOYSA-N
XLogP1.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
N,N-dimethyl-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-sulfonamide
CID 107143521
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 114700898
N,N-dimethyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-sulfonamide
CID 103703160
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
N,N-dimethyl-6-(2-propan-2-yloxyethylamino)pyridine-3-sulfonamide
CID 104577001
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 126795085
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 107389803
6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113227585

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide (CID 103341074) is N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide is Cc1cnccc1CNc1ccc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide?
The InChIKey is MRXUWTCATADLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-11-8-15-7-6-12(11)9-16-14-5-4-13(10-17-14)21(19,20)18(2)3/h4-8,10H,9H2,1-3H3,(H,16,17).
What are the key properties of N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide?
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 103341074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).