N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide

C20H19N3O6 — CID 646757

IUPACN-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)nc2)cc(OC)c1OC
InChIInChI=1S/C20H19N3O6/c1-26-15-9-12(10-16(27-2)18(15)28-3)19(24)22-13-6-7-17(21-11-13)23-20(25)14-5-4-8-29-14/h4-11H,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyLUBKFDZRPFLQBJ-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.20
Rot. Bonds7

About N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide

N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide (PubChem CID 646757) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide
PubChem CID646757
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC NameN-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)nc2)cc(OC)c1OC
InChIInChI=1S/C20H19N3O6/c1-26-15-9-12(10-16(27-2)18(15)28-3)19(24)22-13-6-7-17(21-11-13)23-20(25)14-5-4-8-29-14/h4-11H,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyLUBKFDZRPFLQBJ-UHFFFAOYSA-N
XLogP3.20
TPSA111.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide (CID 646757) is N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide is COc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)nc2)cc(OC)c1OC.
What is the InChIKey of N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide?
The InChIKey is LUBKFDZRPFLQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6/c1-26-15-9-12(10-16(27-2)18(15)28-3)19(24)22-13-6-7-17(21-11-13)23-20(25)14-5-4-8-29-14/h4-11H,1-3H3,(H,22,24)(H,21,23,25).
What are the key properties of N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide?
N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4,5-trimethoxybenzoyl)amino]-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 646757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).