N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide

C20H21N3O2 — CID 109231539

IUPACN-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cncc(NCc2ccco2)c1
InChIInChI=1S/C20H21N3O2/c1-3-15-7-4-6-14(2)19(15)23-20(24)16-10-17(12-21-11-16)22-13-18-8-5-9-25-18/h4-12,22H,3,13H2,1-2H3,(H,23,24)
InChIKeyQUZCWDSWERGBMH-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.41
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide

N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109231539) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109231539
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cncc(NCc2ccco2)c1
InChIInChI=1S/C20H21N3O2/c1-3-15-7-4-6-14(2)19(15)23-20(24)16-10-17(12-21-11-16)22-13-18-8-5-9-25-18/h4-12,22H,3,13H2,1-2H3,(H,23,24)
InChIKeyQUZCWDSWERGBMH-UHFFFAOYSA-N
XLogP4.41
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104899
N-(2-ethylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231536
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109231605
5-(furan-2-ylmethylamino)-N-propylpyridine-3-carboxamide
CID 109222782
N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231586
N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235944
N-(3,5-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231615
5-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231563
N-(2-ethyl-6-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236356
N-(2-ethyl-6-methylphenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236678
4-N-(2-ethyl-6-methylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085207
5-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243693

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide (CID 109231539) is N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide is CCc1cccc(C)c1NC(=O)c1cncc(NCc2ccco2)c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is QUZCWDSWERGBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-15-7-4-6-14(2)19(15)23-20(24)16-10-17(12-21-11-16)22-13-18-8-5-9-25-18/h4-12,22H,3,13H2,1-2H3,(H,23,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109231539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).