N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide

C19H19N5OS — CID 133305352

IUPACN-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCSc1ccc(NCc2ccc(N(C)C(=O)c3ccncc3)cc2)nn1
InChIInChI=1S/C19H19N5OS/c1-24(19(25)15-9-11-20-12-10-15)16-5-3-14(4-6-16)13-21-17-7-8-18(26-2)23-22-17/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyYMLRUMVKIKDZJH-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.48
Rot. Bonds6

About N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide

N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 133305352) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID133305352
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCSc1ccc(NCc2ccc(N(C)C(=O)c3ccncc3)cc2)nn1
InChIInChI=1S/C19H19N5OS/c1-24(19(25)15-9-11-20-12-10-15)16-5-3-14(4-6-16)13-21-17-7-8-18(26-2)23-22-17/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyYMLRUMVKIKDZJH-UHFFFAOYSA-N
XLogP3.48
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133305379
N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305360
N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133316364
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989
N-methyl-N-[4-[(2-methyl-6-nitroanilino)methyl]phenyl]pyridine-4-carboxamide
CID 133316314
N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316335
N-methyl-N-[4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887019
N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316306
N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316321
N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119887003
N-methyl-N-[4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316378
N-[4-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133316336

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 133305352) is N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide is CSc1ccc(NCc2ccc(N(C)C(=O)c3ccncc3)cc2)nn1.
What is the InChIKey of N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is YMLRUMVKIKDZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-24(19(25)15-9-11-20-12-10-15)16-5-3-14(4-6-16)13-21-17-7-8-18(26-2)23-22-17/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 133305352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).