N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide

C21H24N4O2 — CID 109231586

IUPACN-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(NCc3ccco3)c2)cc1
InChIInChI=1S/C21H24N4O2/c1-3-25(4-2)19-9-7-17(8-10-19)24-21(26)16-12-18(14-22-13-16)23-15-20-6-5-11-27-20/h5-14,23H,3-4,15H2,1-2H3,(H,24,26)
InChIKeyXZWYQKQZMBKBFX-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.39
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide

N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109231586) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109231586
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cncc(NCc3ccco3)c2)cc1
InChIInChI=1S/C21H24N4O2/c1-3-25(4-2)19-9-7-17(8-10-19)24-21(26)16-12-18(14-22-13-16)23-15-20-6-5-11-27-20/h5-14,23H,3-4,15H2,1-2H3,(H,24,26)
InChIKeyXZWYQKQZMBKBFX-UHFFFAOYSA-N
XLogP4.39
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109231605
5-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231569
N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231628
N-(3,5-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231615
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231602
N-(2-ethylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231536
N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232722
5-(furan-2-ylmethylamino)-N-propylpyridine-3-carboxamide
CID 109222782
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046633
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451
5-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231563
N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231539

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide (CID 109231586) is N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cncc(NCc3ccco3)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is XZWYQKQZMBKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-25(4-2)19-9-7-17(8-10-19)24-21(26)16-12-18(14-22-13-16)23-15-20-6-5-11-27-20/h5-14,23H,3-4,15H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-(furan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109231586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).