N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C19H18N4O3S — CID 22249375

IUPACN-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cccnc2NCc2ccncc2)cc1
InChIInChI=1S/C19H18N4O3S/c1-27(25,26)16-6-4-15(5-7-16)23-19(24)17-3-2-10-21-18(17)22-13-14-8-11-20-12-9-14/h2-12H,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyQFGVGPSBDKEYOX-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.74
Rot. Bonds6

About N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 22249375) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID22249375
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cccnc2NCc2ccncc2)cc1
InChIInChI=1S/C19H18N4O3S/c1-27(25,26)16-6-4-15(5-7-16)23-19(24)17-3-2-10-21-18(17)22-13-14-8-11-20-12-9-14/h2-12H,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyQFGVGPSBDKEYOX-UHFFFAOYSA-N
XLogP2.74
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249186
N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11349748
N-[3-(fluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907405
N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11268688
N-[3-[2-(methanesulfonamido)ethoxy]-4-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10097808
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 20773471
methyl 2-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]benzoate;hydrochloride
CID 141081595
2-(pyridin-4-ylmethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 10136336
N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide nitrate
CID 45138817

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 22249375) is N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2cccnc2NCc2ccncc2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is QFGVGPSBDKEYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-27(25,26)16-6-4-15(5-7-16)23-19(24)17-3-2-10-21-18(17)22-13-14-8-11-20-12-9-14/h2-12H,13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 22249375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).