N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide

C20H21N3O2 — CID 109231371

IUPACN-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
SMILESCc1cc(C)c(Nc2cncc(C(=O)NCc3ccco3)c2)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-13-7-14(2)19(15(3)8-13)23-17-9-16(10-21-11-17)20(24)22-12-18-5-4-6-25-18/h4-11,23H,12H2,1-3H3,(H,22,24)
InChIKeyXTCHBURFMZPSEN-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.27
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide

N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide (PubChem CID 109231371) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
PubChem CID109231371
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
SMILESCc1cc(C)c(Nc2cncc(C(=O)NCc3ccco3)c2)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-13-7-14(2)19(15(3)8-13)23-17-9-16(10-21-11-17)20(24)22-12-18-5-4-6-25-18/h4-11,23H,12H2,1-3H3,(H,22,24)
InChIKeyXTCHBURFMZPSEN-UHFFFAOYSA-N
XLogP4.27
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231384
N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109232551
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109226082
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231446
5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104899
5-(furan-2-ylmethylamino)-N-propylpyridine-3-carboxamide
CID 109222782
methyl 4-chloro-3-[[5-(furan-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109231412
5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109231475
N-(furan-2-ylmethyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228917
N-(furan-2-ylmethyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109231433
5-(furan-2-ylmethylamino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227645

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide (CID 109231371) is N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide is Cc1cc(C)c(Nc2cncc(C(=O)NCc3ccco3)c2)c(C)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The InChIKey is XTCHBURFMZPSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-7-14(2)19(15(3)8-13)23-17-9-16(10-21-11-17)20(24)22-12-18-5-4-6-25-18/h4-11,23H,12H2,1-3H3,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109231371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).