N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide

C25H26N4O3 — CID 72539091

IUPACN-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2ccc(C=C3C(=O)Nc4ccccc43)o2)cn1
InChIInChI=1S/C25H26N4O3/c1-3-29(4-2)14-13-26-25(31)22-11-9-17(16-27-22)23-12-10-18(32-23)15-20-19-7-5-6-8-21(19)28-24(20)30/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyULNLGUUNWXCBGO-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.91
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide

N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide (PubChem CID 72539091) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide
PubChem CID72539091
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2ccc(C=C3C(=O)Nc4ccccc43)o2)cn1
InChIInChI=1S/C25H26N4O3/c1-3-29(4-2)14-13-26-25(31)22-11-9-17(16-27-22)23-12-10-18(32-23)15-20-19-7-5-6-8-21(19)28-24(20)30/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,26,31)(H,28,30)
InChIKeyULNLGUUNWXCBGO-UHFFFAOYSA-N
XLogP3.91
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide (CID 72539091) is N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(-c2ccc(C=C3C(=O)Nc4ccccc43)o2)cn1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide?
The InChIKey is ULNLGUUNWXCBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-3-29(4-2)14-13-26-25(31)22-11-9-17(16-27-22)23-12-10-18(32-23)15-20-19-7-5-6-8-21(19)28-24(20)30/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,26,31)(H,28,30).
What are the key properties of N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide?
N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 72539091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).