N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide

C23H27N5O3 — CID 73226069

IUPACN-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CCC2=NO
InChIInChI=1S/C23H27N5O3/c1-3-28(4-2)12-11-25-23(29)22-21(18-9-10-24-14-20(18)31-22)26-16-6-7-17-15(13-16)5-8-19(17)27-30/h6-7,9-10,13-14,26,30H,3-5,8,11-12H2,1-2H3,(H,25,29)
InChIKeyZTBVSASORQMCCO-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.77
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide

N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 73226069) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide
PubChem CID73226069
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CCC2=NO
InChIInChI=1S/C23H27N5O3/c1-3-28(4-2)12-11-25-23(29)22-21(18-9-10-24-14-20(18)31-22)26-16-6-7-17-15(13-16)5-8-19(17)27-30/h6-7,9-10,13-14,26,30H,3-5,8,11-12H2,1-2H3,(H,25,29)
InChIKeyZTBVSASORQMCCO-UHFFFAOYSA-N
XLogP3.77
TPSA102.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide (CID 73226069) is N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide is CCN(CC)CCNC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CCC2=NO.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ZTBVSASORQMCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-3-28(4-2)12-11-25-23(29)22-21(18-9-10-24-14-20(18)31-22)26-16-6-7-17-15(13-16)5-8-19(17)27-30/h6-7,9-10,13-14,26,30H,3-5,8,11-12H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide?
N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 73226069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).