N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide

C13H14BrN3OS — CID 81245584

IUPACN-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C13H14BrN3OS/c1-8-3-12(15-2)11(6-16-8)13(18)17-5-10-4-9(14)7-19-10/h3-4,6-7H,5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIEKPSCIXCZEPMF-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.19
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81245584) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81245584
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)NCc1cc(Br)cs1
InChIInChI=1S/C13H14BrN3OS/c1-8-3-12(15-2)11(6-16-8)13(18)17-5-10-4-9(14)7-19-10/h3-4,6-7H,5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIEKPSCIXCZEPMF-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-(methylamino)-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 81240074
6-methyl-4-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 81236822
N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81256110
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588
N-[(4-methoxyphenyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239365
N-[(4-bromothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47291490
N-[(3-fluorophenyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236117
N-(5-bromo-2-pyridinyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236115
N-(3-methoxypropyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235727
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 60793136
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239641
N-(5-bromo-1,3-thiazol-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81242509

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81245584) is N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide is CNc1cc(C)ncc1C(=O)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is IEKPSCIXCZEPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-8-3-12(15-2)11(6-16-8)13(18)17-5-10-4-9(14)7-19-10/h3-4,6-7H,5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81245584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).