N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide

C19H18BrN3O — CID 55973953

IUPACN-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NCC2(c3cccc(Br)c3)CCC2)ccc1C#N
InChIInChI=1S/C19H18BrN3O/c1-13-14(11-21)6-7-17(23-13)18(24)22-12-19(8-3-9-19)15-4-2-5-16(20)10-15/h2,4-7,10H,3,8-9,12H2,1H3,(H,22,24)
InChIKeyHTQLHUIHLAJIDY-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.88
Rot. Bonds4

About N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide

N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide (PubChem CID 55973953) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide
PubChem CID55973953
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NCC2(c3cccc(Br)c3)CCC2)ccc1C#N
InChIInChI=1S/C19H18BrN3O/c1-13-14(11-21)6-7-17(23-13)18(24)22-12-19(8-3-9-19)15-4-2-5-16(20)10-15/h2,4-7,10H,3,8-9,12H2,1H3,(H,22,24)
InChIKeyHTQLHUIHLAJIDY-UHFFFAOYSA-N
XLogP3.88
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide with MolForge

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Related Compounds

1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449689
5-[[1-(3-bromophenyl)cyclobutyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685220
3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide
CID 119744824
4-acetyl-N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 52721045
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methylsulfonylbenzamide
CID 55980447
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 71888332
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-cyano-2-methylpropanamide
CID 56791058
1-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 71888682
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 60524795
N-[3-[[1-(3-bromophenyl)cyclobutyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 55975233
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-1-ethylbenzotriazole-5-carboxamide
CID 60552016

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide (CID 55973953) is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)NCC2(c3cccc(Br)c3)CCC2)ccc1C#N.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide?
The InChIKey is HTQLHUIHLAJIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-13-14(11-21)6-7-17(23-13)18(24)22-12-19(8-3-9-19)15-4-2-5-16(20)10-15/h2,4-7,10H,3,8-9,12H2,1H3,(H,22,24).
What are the key properties of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide?
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide has a molecular weight of 384.28 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-5-cyano-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 55973953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).