2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide

C13H16N4O3S — CID 106594468

IUPAC2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cccnc2CN)ccn1
InChIInChI=1S/C13H16N4O3S/c1-20-13-7-10(4-6-16-13)9-17-21(18,19)12-3-2-5-15-11(12)8-14/h2-7,17H,8-9,14H2,1H3
InChIKeyOYKVKSMACHJZID-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.42
Rot. Bonds6

About 2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide

2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 106594468) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID106594468
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cccnc2CN)ccn1
InChIInChI=1S/C13H16N4O3S/c1-20-13-7-10(4-6-16-13)9-17-21(18,19)12-3-2-5-15-11(12)8-14/h2-7,17H,8-9,14H2,1H3
InChIKeyOYKVKSMACHJZID-UHFFFAOYSA-N
XLogP0.42
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylfuran-3-sulfonamide
CID 106062062
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
CID 36582613
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559063
3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 62991122
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 62995922
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
CID 55142109
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 106595040

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide (CID 106594468) is 2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide is COc1cc(CNS(=O)(=O)c2cccnc2CN)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is OYKVKSMACHJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-20-13-7-10(4-6-16-13)9-17-21(18,19)12-3-2-5-15-11(12)8-14/h2-7,17H,8-9,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide?
2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106594468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).