N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide

C15H16BrN3O2 — CID 104641623

IUPACN-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)nc1
InChIInChI=1S/C15H16BrN3O2/c1-3-17-11-4-6-13(18-9-11)15(20)19-10-5-7-14(21-2)12(16)8-10/h4-9,17H,3H2,1-2H3,(H,19,20)
InChIKeySHNRGTIBVHRLFU-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.54
Rot. Bonds5

About N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide

N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide (PubChem CID 104641623) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide
PubChem CID104641623
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)nc1
InChIInChI=1S/C15H16BrN3O2/c1-3-17-11-4-6-13(18-9-11)15(20)19-10-5-7-14(21-2)12(16)8-10/h4-9,17H,3H2,1-2H3,(H,19,20)
InChIKeySHNRGTIBVHRLFU-UHFFFAOYSA-N
XLogP3.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641780
N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide
CID 113265025
5-(ethylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 104639774
5-(ethylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 104639682
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 63998822
5-bromo-N-(4-ethoxy-3-methoxyphenyl)pyridine-2-carboxamide
CID 62952861
5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109180935
5-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)pyrazine-2-carboxamide
CID 107374487
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride
CID 115194346
N-(2-bromo-4-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640072
4-(ethylamino)-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 62181190

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide (CID 104641623) is N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)nc1.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide?
The InChIKey is SHNRGTIBVHRLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-3-17-11-4-6-13(18-9-11)15(20)19-10-5-7-14(21-2)12(16)8-10/h4-9,17H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide?
N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-5-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).