2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide

C15H15BrN2O3 — CID 103801002

IUPAC2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2ccnc(Br)c2)ccc1O
InChIInChI=1S/C15H15BrN2O3/c1-18(15(20)11-5-6-17-14(16)8-11)9-10-3-4-12(19)13(7-10)21-2/h3-8,19H,9H2,1-2H3
InChIKeyHONAVCQQJPPOBA-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.83
Rot. Bonds4

About 2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide

2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 103801002) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID103801002
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2ccnc(Br)c2)ccc1O
InChIInChI=1S/C15H15BrN2O3/c1-18(15(20)11-5-6-17-14(16)8-11)9-10-3-4-12(19)13(7-10)21-2/h3-8,19H,9H2,1-2H3
InChIKeyHONAVCQQJPPOBA-UHFFFAOYSA-N
XLogP2.83
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N'-(4'-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide (3g)
CID 135412163
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
(E)-3-(3-hydroxy-4-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7946380
(E)-3-(3,4-dimethoxyphenyl)-1-(4-pyridyl)prop-2-en-1-one
CID 82639722
N'-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide
CID 135642244
(E)-N'-(3-hydroxy-4-methoxybenzylidene)isonicotinohydrazide
CID 9554777
N'-(4-hydroxy-3-methoxybenzylidene)isonicotinohydrazide hydrate
CID 135472547
N-[4-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]pyridine-4-carboxamide
CID 145993220
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 831704
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 16299567
(5Z)-5-[[2-bromo-4-hydroxy-5-(2-pyridin-4-ylethoxy)phenyl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 140896933
Tjn-598
CID 20701430

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide (CID 103801002) is 2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide is COc1cc(CN(C)C(=O)c2ccnc(Br)c2)ccc1O.
What is the InChIKey of 2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is HONAVCQQJPPOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-18(15(20)11-5-6-17-14(16)8-11)9-10-3-4-12(19)13(7-10)21-2/h3-8,19H,9H2,1-2H3.
What are the key properties of 2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide?
2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 103801002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).