N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide

C18H19BrN2O2 — CID 139004674

IUPACN-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide
SMILESCOc1cc(C)cnc1C(=O)NC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H19BrN2O2/c1-11-7-16(23-2)17(20-10-11)18(22)21-15-8-13(9-15)12-3-5-14(19)6-4-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,21,22)
InChIKeyWGTDZHLUHPCLFT-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.84
Rot. Bonds4

About N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide

N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide (PubChem CID 139004674) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide
PubChem CID139004674
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide
SMILESCOc1cc(C)cnc1C(=O)NC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C18H19BrN2O2/c1-11-7-16(23-2)17(20-10-11)18(22)21-15-8-13(9-15)12-3-5-14(19)6-4-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,21,22)
InChIKeyWGTDZHLUHPCLFT-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-hydroxy-N-[3-(4-methoxyphenyl)cyclobutyl]pyridine-4-carboxamide
CID 167830716
4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287
2,6-dibromo-N-[3-(4-bromophenyl)cyclobutyl]-4-methylaniline
CID 63425282
2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide
CID 155293567
2-[(5-bromo-3-methoxypyridine-2-carbonyl)amino]acetic acid
CID 155287372
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3,5-dimethylpyridine-2-carboxamide
CID 136529903
2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
CID 61063574
1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide
CID 154838813
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
N-[3-(4-chlorophenyl)cyclobutyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide
CID 167786222
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
CID 78988011

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide (CID 139004674) is N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide is COc1cc(C)cnc1C(=O)NC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide?
The InChIKey is WGTDZHLUHPCLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-11-7-16(23-2)17(20-10-11)18(22)21-15-8-13(9-15)12-3-5-14(19)6-4-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide?
N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)cyclobutyl]-3-methoxy-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 139004674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).