N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide

C11H18N4O3S — CID 106342397

IUPACN-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCCCNS(C)(=O)=O)nc1
InChIInChI=1S/C11H18N4O3S/c1-12-9-4-5-10(14-8-9)11(16)13-6-3-7-15-19(2,17)18/h4-5,8,12,15H,3,6-7H2,1-2H3,(H,13,16)
InChIKeyDBOSRFGGUSNOCE-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.21
Rot. Bonds7

About N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide

N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide (PubChem CID 106342397) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide
PubChem CID106342397
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCCCNS(C)(=O)=O)nc1
InChIInChI=1S/C11H18N4O3S/c1-12-9-4-5-10(14-8-9)11(16)13-6-3-7-15-19(2,17)18/h4-5,8,12,15H,3,6-7H2,1-2H3,(H,13,16)
InChIKeyDBOSRFGGUSNOCE-UHFFFAOYSA-N
XLogP-0.21
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 104641430
5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050159
5-(methylamino)-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 104641118
5-bromo-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 55152309
5-hydrazinyl-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
CID 106340836
5-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 104640377
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641145
N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640447
N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide
CID 106342407
6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
CID 114175964
6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridazine-3-carboxamide
CID 106342396
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide (CID 106342397) is N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide is CNc1ccc(C(=O)NCCCNS(C)(=O)=O)nc1.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide?
The InChIKey is DBOSRFGGUSNOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-12-9-4-5-10(14-8-9)11(16)13-6-3-7-15-19(2,17)18/h4-5,8,12,15H,3,6-7H2,1-2H3,(H,13,16).
What are the key properties of N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide?
N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 106342397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).