N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide

C20H20N4O3 — CID 113035740

IUPACN-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2N2CCOCC2)cn1)c1ccco1
InChIInChI=1S/C20H20N4O3/c25-20(18-6-3-11-27-18)23-19-8-7-15(14-21-19)22-16-4-1-2-5-17(16)24-9-12-26-13-10-24/h1-8,11,14,22H,9-10,12-13H2,(H,21,23,25)
InChIKeyCRUVLFZYZAONLS-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.51
Rot. Bonds5

About N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide

N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide (PubChem CID 113035740) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide
PubChem CID113035740
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2N2CCOCC2)cn1)c1ccco1
InChIInChI=1S/C20H20N4O3/c25-20(18-6-3-11-27-18)23-19-8-7-15(14-21-19)22-16-4-1-2-5-17(16)24-9-12-26-13-10-24/h1-8,11,14,22H,9-10,12-13H2,(H,21,23,25)
InChIKeyCRUVLFZYZAONLS-UHFFFAOYSA-N
XLogP3.51
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide (CID 113035740) is N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide is O=C(Nc1ccc(Nc2ccccc2N2CCOCC2)cn1)c1ccco1.
What is the InChIKey of N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is CRUVLFZYZAONLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(18-6-3-11-27-18)23-19-8-7-15(14-21-19)22-16-4-1-2-5-17(16)24-9-12-26-13-10-24/h1-8,11,14,22H,9-10,12-13H2,(H,21,23,25).
What are the key properties of N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide?
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 113035740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).