2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide

C14H15BrN2O3 — CID 109477092

IUPAC2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(O)c2ccco2)c(Br)n1
InChIInChI=1S/C14H15BrN2O3/c1-9-5-6-10(12(15)17-9)13(18)16-8-14(2,19)11-4-3-7-20-11/h3-7,19H,8H2,1-2H3,(H,16,18)
InChIKeyNTJIKWDZUZNFID-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.38
Rot. Bonds4

About 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide

2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide (PubChem CID 109477092) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
PubChem CID109477092
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(O)c2ccco2)c(Br)n1
InChIInChI=1S/C14H15BrN2O3/c1-9-5-6-10(12(15)17-9)13(18)16-8-14(2,19)11-4-3-7-20-11/h3-7,19H,8H2,1-2H3,(H,16,18)
InChIKeyNTJIKWDZUZNFID-UHFFFAOYSA-N
XLogP2.38
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95983656
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-2-methoxybenzamide
CID 95983592
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide
CID 97321033
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 121085807
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 111482271

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide (CID 109477092) is 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC(C)(O)c2ccco2)c(Br)n1.
What is the InChIKey of 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide?
The InChIKey is NTJIKWDZUZNFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-9-5-6-10(12(15)17-9)13(18)16-8-14(2,19)11-4-3-7-20-11/h3-7,19H,8H2,1-2H3,(H,16,18).
What are the key properties of 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide?
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 109477092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).