5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide

C14H18BrClN2O — CID 102795231

IUPAC5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2cc(Br)cnc2Cl)CC1
InChIInChI=1S/C14H18BrClN2O/c1-9-3-2-4-11(6-5-9)18-14(19)12-7-10(15)8-17-13(12)16/h7-9,11H,2-6H2,1H3,(H,18,19)
InChIKeyWSLHAPNLSHVHFQ-UHFFFAOYSA-N
MW345.67 g/mol
LogP4.20
Rot. Bonds2

About 5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide (PubChem CID 102795231) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
PubChem CID102795231
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
SMILESCC1CCCC(NC(=O)c2cc(Br)cnc2Cl)CC1
InChIInChI=1S/C14H18BrClN2O/c1-9-3-2-4-11(6-5-9)18-14(19)12-7-10(15)8-17-13(12)16/h7-9,11H,2-6H2,1H3,(H,18,19)
InChIKeyWSLHAPNLSHVHFQ-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 62001027
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 94415434
2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774144
5-bromo-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670012
3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
CID 114100333
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540575
5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 103951497
4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 159995696
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide (CID 102795231) is 5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide is CC1CCCC(NC(=O)c2cc(Br)cnc2Cl)CC1.
What is the InChIKey of 5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide?
The InChIKey is WSLHAPNLSHVHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-9-3-2-4-11(6-5-9)18-14(19)12-7-10(15)8-17-13(12)16/h7-9,11H,2-6H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide has a molecular weight of 345.67 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide is sourced from PubChem (CID 102795231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).