N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide

C13H14BrN3OS — CID 105070295

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C13H14BrN3OS/c1-2-16-11-8-15-6-5-10(11)13(18)17-7-9-3-4-12(14)19-9/h3-6,8,16H,2,7H2,1H3,(H,17,18)
InChIKeyZTPBLEBYQOMSKI-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.27
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide (PubChem CID 105070295) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide
PubChem CID105070295
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C13H14BrN3OS/c1-2-16-11-8-15-6-5-10(11)13(18)17-7-9-3-4-12(14)19-9/h3-6,8,16H,2,7H2,1H3,(H,17,18)
InChIKeyZTPBLEBYQOMSKI-UHFFFAOYSA-N
XLogP3.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106012825
3-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105071500
3-(ethylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-carboxamide
CID 106408256
3-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-carboxamide
CID 105069474
3-(ethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 105069649
N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105067967
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105069218
4-[(5-bromothiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81244300
N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 113252821
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
CID 106049295
3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070656
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
CID 105071026

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide (CID 105070295) is N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide is CCNc1cnccc1C(=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide?
The InChIKey is ZTPBLEBYQOMSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-2-16-11-8-15-6-5-10(11)13(18)17-7-9-3-4-12(14)19-9/h3-6,8,16H,2,7H2,1H3,(H,17,18).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105070295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).