N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide

C16H20N4O3S — CID 75371012

IUPACN-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCc2ccccc2NS(C)(=O)=O)ccn1
InChIInChI=1S/C16H20N4O3S/c1-3-17-16(21)15-10-13(8-9-18-15)19-11-12-6-4-5-7-14(12)20-24(2,22)23/h4-10,20H,3,11H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyGKSINXDGZJAESO-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.81
Rot. Bonds7

About N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide

N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide (PubChem CID 75371012) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide
PubChem CID75371012
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCc2ccccc2NS(C)(=O)=O)ccn1
InChIInChI=1S/C16H20N4O3S/c1-3-17-16(21)15-10-13(8-9-18-15)19-11-12-6-4-5-7-14(12)20-24(2,22)23/h4-10,20H,3,11H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyGKSINXDGZJAESO-UHFFFAOYSA-N
XLogP1.81
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 61401901
4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109201013
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109205668
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide
CID 62168705
4-[2-[di(propan-2-yl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 43517863
4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide (CID 75371012) is N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide is CCNC(=O)c1cc(NCc2ccccc2NS(C)(=O)=O)ccn1.
What is the InChIKey of N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide?
The InChIKey is GKSINXDGZJAESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-3-17-16(21)15-10-13(8-9-18-15)19-11-12-6-4-5-7-14(12)20-24(2,22)23/h4-10,20H,3,11H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide?
N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 75371012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).