2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

C20H21N5O3S — CID 10136336

IUPAC2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2NCc2ccncc2)cc1
InChIInChI=1S/C20H21N5O3S/c21-29(27,28)17-5-3-15(4-6-17)9-13-24-20(26)18-2-1-10-23-19(18)25-14-16-7-11-22-12-8-16/h1-8,10-12H,9,13-14H2,(H,23,25)(H,24,26)(H2,21,27,28)
InChIKeyLWDPTJDVDQEJNC-UHFFFAOYSA-N
MW411.49 g/mol
LogP1.71
Rot. Bonds8

About 2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 10136336) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID10136336
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2NCc2ccncc2)cc1
InChIInChI=1S/C20H21N5O3S/c21-29(27,28)17-5-3-15(4-6-17)9-13-24-20(26)18-2-1-10-23-19(18)25-14-16-7-11-22-12-8-16/h1-8,10-12H,9,13-14H2,(H,23,25)(H,24,26)(H2,21,27,28)
InChIKeyLWDPTJDVDQEJNC-UHFFFAOYSA-N
XLogP1.71
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10295933
N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10135653
4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 62735276
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886
3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 110676548
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide
CID 146077356
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989235

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (CID 10136336) is 2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2NCc2ccncc2)cc1.
What is the InChIKey of 2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is LWDPTJDVDQEJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c21-29(27,28)17-5-3-15(4-6-17)9-13-24-20(26)18-2-1-10-23-19(18)25-14-16-7-11-22-12-8-16/h1-8,10-12H,9,13-14H2,(H,23,25)(H,24,26)(H2,21,27,28).
What are the key properties of 2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 10136336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).