2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide

C18H15ClN2O4 — CID 28675349

IUPAC2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2Cl)cc1-c1ccc(CO)o1
InChIInChI=1S/C18H15ClN2O4/c1-24-15-6-4-11(9-14(15)16-7-5-12(10-22)25-16)21-18(23)13-3-2-8-20-17(13)19/h2-9,22H,10H2,1H3,(H,21,23)
InChIKeyDHRITEJRLHERAP-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.75
Rot. Bonds5

About 2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide

2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 28675349) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide
PubChem CID28675349
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2Cl)cc1-c1ccc(CO)o1
InChIInChI=1S/C18H15ClN2O4/c1-24-15-6-4-11(9-14(15)16-7-5-12(10-22)25-16)21-18(23)13-3-2-8-20-17(13)19/h2-9,22H,10H2,1H3,(H,21,23)
InChIKeyDHRITEJRLHERAP-UHFFFAOYSA-N
XLogP3.75
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057
3-bromo-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28667412
3-ethoxy-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]benzamide
CID 28672132
2-fluoro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667056
N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]naphthalene-1-carboxamide
CID 28687458
N-[[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]carbamothioyl]benzamide
CID 28686845
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-4-(2-methylpropoxy)benzamide
CID 28673042
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-phenylmethoxybenzamide
CID 28677525
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496
2-(4-bromophenoxy)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]acetamide
CID 28676197

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide (CID 28675349) is 2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2Cl)cc1-c1ccc(CO)o1.
What is the InChIKey of 2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is DHRITEJRLHERAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-24-15-6-4-11(9-14(15)16-7-5-12(10-22)25-16)21-18(23)13-3-2-8-20-17(13)19/h2-9,22H,10H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide?
2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 358.78 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 28675349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).