N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide

C19H18BrN3OS — CID 112830527

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C19H18BrN3OS/c1-22(13-16-9-10-17(20)25-16)19(24)14-8-11-18(21-12-14)23(2)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyJRQHHILHASGBDC-UHFFFAOYSA-N
MW416.34 g/mol
LogP4.95
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 112830527) has the molecular formula C19H18BrN3OS and a molecular weight of 416.34 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide
PubChem CID112830527
Molecular FormulaC19H18BrN3OS
Molecular Weight416.34 g/mol
Exact Mass415.04
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C19H18BrN3OS/c1-22(13-16-9-10-17(20)25-16)19(24)14-8-11-18(21-12-14)23(2)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyJRQHHILHASGBDC-UHFFFAOYSA-N
XLogP4.95
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide
CID 27839528
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 78792336
4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119346931
N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 27839410
N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
CID 9108829
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 78792331
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-[(5-bromothiophen-2-yl)methyl]-4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 31792131
3-methyl-4-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120537159
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 42112796

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide (CID 112830527) is N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide is CN(Cc1ccc(Br)s1)C(=O)c1ccc(N(C)c2ccccc2)nc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is JRQHHILHASGBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3OS/c1-22(13-16-9-10-17(20)25-16)19(24)14-8-11-18(21-12-14)23(2)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 416.34 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 112830527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).