2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide

C18H16BrN3O2 — CID 109169271

IUPAC2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccco3)ccn2)cc1Br
InChIInChI=1S/C18H16BrN3O2/c1-12-4-5-14(10-16(12)19)22-17-9-13(6-7-20-17)18(23)21-11-15-3-2-8-24-15/h2-10H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyVPNBBHCZRDDPBA-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.42
Rot. Bonds5

About 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide

2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 109169271) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID109169271
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccco3)ccn2)cc1Br
InChIInChI=1S/C18H16BrN3O2/c1-12-4-5-14(10-16(12)19)22-17-9-13(6-7-20-17)18(23)21-11-15-3-2-8-24-15/h2-10H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyVPNBBHCZRDDPBA-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
N-(furan-2-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172710
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109169290
N-(furan-2-ylmethyl)-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109169297
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 63333822
5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279370
2-(2,4-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109169277
2-(4-bromo-3-methylanilino)-N-pentylpyridine-4-carboxamide
CID 109175383
3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 27244504
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360
4-N-(3,5-dimethylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085201
1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974660

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide (CID 109169271) is 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCc3ccco3)ccn2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is VPNBBHCZRDDPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-4-5-14(10-16(12)19)22-17-9-13(6-7-20-17)18(23)21-11-15-3-2-8-24-15/h2-10H,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide?
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109169271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).