N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide

C18H16BrN3O2 — CID 109169394

IUPACN-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccco3)c2)c(Br)c1
InChIInChI=1S/C18H16BrN3O2/c1-12-4-5-16(15(19)9-12)22-18(23)13-6-7-20-17(10-13)21-11-14-3-2-8-24-14/h2-10H,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyCGFSZILQVMMNQM-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.61
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide

N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109169394) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide
PubChem CID109169394
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccco3)c2)c(Br)c1
InChIInChI=1S/C18H16BrN3O2/c1-12-4-5-16(15(19)9-12)22-18(23)13-6-7-20-17(10-13)21-11-14-3-2-8-24-14/h2-10H,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyCGFSZILQVMMNQM-UHFFFAOYSA-N
XLogP4.61
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide
CID 109169407
2-(furan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109169400
N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166381
2-N-(2,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085064
4-N-(2-bromo-4-methylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089325
N-(furan-2-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172710
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109169271
N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
CID 109169486
2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide
CID 109169578
N-(2-chloro-4-methylphenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62165610
2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)pyridine-4-carboxamide
CID 109176083
N-(2-bromo-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62165424

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide (CID 109169394) is N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NCc3ccco3)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is CGFSZILQVMMNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-4-5-16(15(19)9-12)22-18(23)13-6-7-20-17(10-13)21-11-14-3-2-8-24-14/h2-10H,11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(furan-2-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109169394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).