N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide

C15H16BrN3O — CID 62179810

IUPACN-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NC(C)c2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN3O/c1-10(11-4-3-5-12(16)8-11)19-15(20)14-9-13(17-2)6-7-18-14/h3-10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyGNMYCLNYLLTPJT-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide

N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide (PubChem CID 62179810) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide
PubChem CID62179810
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NC(C)c2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN3O/c1-10(11-4-3-5-12(16)8-11)19-15(20)14-9-13(17-2)6-7-18-14/h3-10H,1-2H3,(H,17,18)(H,19,20)
InChIKeyGNMYCLNYLLTPJT-UHFFFAOYSA-N
XLogP3.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 115730206
methyl 4-[1-(3-bromophenyl)ethylamino]pyridine-2-carboxylate
CID 66284629
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016
N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104640557
N-[1-(4-bromophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62173589
N-[1-(3-bromophenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55599574
2-(3-bromoanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304953
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175226
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210681
N-[1-(3-bromophenyl)ethyl]-5-carbamothioylpyridine-2-carboxamide
CID 63748669
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide (CID 62179810) is N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide is CNc1ccnc(C(=O)NC(C)c2cccc(Br)c2)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide?
The InChIKey is GNMYCLNYLLTPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10(11-4-3-5-12(16)8-11)19-15(20)14-9-13(17-2)6-7-18-14/h3-10H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide?
N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62179810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).