N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide

C17H22N4O3S — CID 55844663

IUPACN-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cn1
InChIInChI=1S/C17H22N4O3S/c1-4-21(5-2)16-11-10-13(12-18-16)19-17(22)14-8-6-7-9-15(14)20-25(3,23)24/h6-12,20H,4-5H2,1-3H3,(H,19,22)
InChIKeyIZOBKQVNPJJTTM-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.55
Rot. Bonds7

About N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide

N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide (PubChem CID 55844663) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide
PubChem CID55844663
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cn1
InChIInChI=1S/C17H22N4O3S/c1-4-21(5-2)16-11-10-13(12-18-16)19-17(22)14-8-6-7-9-15(14)20-25(3,23)24/h6-12,20H,4-5H2,1-3H3,(H,19,22)
InChIKeyIZOBKQVNPJJTTM-UHFFFAOYSA-N
XLogP2.55
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride
CID 120641638
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide
CID 119845916
3-tert-butyl-N-[6-(diethylamino)-3-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 126775891
6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 103910107
N-[6-(diethylamino)-3-pyridinyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112833718
2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 78862640
N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55784472
2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 139887400
4-chloro-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 60785572
N-[4-(difluoromethoxy)phenyl]-2-(methanesulfonamido)benzamide
CID 51166116

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide (CID 55844663) is N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide is CCN(CC)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide?
The InChIKey is IZOBKQVNPJJTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-4-21(5-2)16-11-10-13(12-18-16)19-17(22)14-8-6-7-9-15(14)20-25(3,23)24/h6-12,20H,4-5H2,1-3H3,(H,19,22).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide?
N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide has a molecular weight of 362.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 55844663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).