N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide

C11H18N4O3S — CID 106342407

IUPACN-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C11H18N4O3S/c1-12-10-4-7-13-8-9(10)11(16)14-5-3-6-15-19(2,17)18/h4,7-8,15H,3,5-6H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyZGHLKERPFCOUGT-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.21
Rot. Bonds7

About N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide

N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide (PubChem CID 106342407) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide
PubChem CID106342407
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C11H18N4O3S/c1-12-10-4-7-13-8-9(10)11(16)14-5-3-6-15-19(2,17)18/h4,7-8,15H,3,5-6H2,1-2H3,(H,12,13)(H,14,16)
InChIKeyZGHLKERPFCOUGT-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

4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81242256
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(methylamino)pyridine-3-carboxamide
CID 81241660
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113413228
N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide
CID 106342397
4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 81242250
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
4-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81235207
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256347

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide (CID 106342407) is N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is ZGHLKERPFCOUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-12-10-4-7-13-8-9(10)11(16)14-5-3-6-15-19(2,17)18/h4,7-8,15H,3,5-6H2,1-2H3,(H,12,13)(H,14,16).
What are the key properties of N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide?
N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-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]-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106342407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).