5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide

C11H12BrClN2O2 — CID 171476093

IUPAC5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide
SMILESCOCN(C(=O)c1cc(Br)cnc1Cl)C1CC1
InChIInChI=1S/C11H12BrClN2O2/c1-17-6-15(8-2-3-8)11(16)9-4-7(12)5-14-10(9)13/h4-5,8H,2-3,6H2,1H3
InChIKeyPIDCZMGGULDOHY-UHFFFAOYSA-N
MW319.59 g/mol
LogP2.71
Rot. Bonds4

About 5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide (PubChem CID 171476093) has the molecular formula C11H12BrClN2O2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide
PubChem CID171476093
Molecular FormulaC11H12BrClN2O2
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide
SMILESCOCN(C(=O)c1cc(Br)cnc1Cl)C1CC1
InChIInChI=1S/C11H12BrClN2O2/c1-17-6-15(8-2-3-8)11(16)9-4-7(12)5-14-10(9)13/h4-5,8H,2-3,6H2,1H3
InChIKeyPIDCZMGGULDOHY-UHFFFAOYSA-N
XLogP2.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-Bromopyridin-3-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46931242
2-Chloro-N,N-diethylnicotinamide
CID 4465944
2-chloro-N,N-dimethylpyridine-3-carboxamide
CID 10965214
5-bromo-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 2287991
1-[(5-Bromo-3-pyridinyl)carbonyl]-2-pyrrolidinone
CID 977311
5-Bromo-N,N-dimethylpyridine-3-carboxamide
CID 23437049
5-bromo-N-cyclopropylnicotinamide
CID 604228
(5-Bromo-3-pyridyl)-morpholino-methanone
CID 720020
1-(5-Bromo-6-chloropyridin-3-yl)ethan-1-one
CID 20071992
5-Bromo-6-chloro-3-pyridinecarboxaldehyde
CID 22397261
5-Bromo-2-chloronicotinaldehyde
CID 23090988
5-Bromo-N-(pentan-3-yl)nicotinamide
CID 16389886

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide (CID 171476093) is 5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide is COCN(C(=O)c1cc(Br)cnc1Cl)C1CC1.
What is the InChIKey of 5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide?
The InChIKey is PIDCZMGGULDOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O2/c1-17-6-15(8-2-3-8)11(16)9-4-7(12)5-14-10(9)13/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide has a molecular weight of 319.59 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171476093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).