3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide

C24H27N5O2 — CID 89376332

IUPAC3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide
SMILES[H]/N=C1\CCc2cc(Nc3c(C(=O)NCCN4CCCCC4)oc4cnccc34)ccc21
InChIInChI=1S/C24H27N5O2/c25-20-7-4-16-14-17(5-6-18(16)20)28-22-19-8-9-26-15-21(19)31-23(22)24(30)27-10-13-29-11-2-1-3-12-29/h5-6,8-9,14-15,25,28H,1-4,7,10-13H2,(H,27,30)/b25-20+
InChIKeyDIGSSQOWPJDPJX-LKUDQCMESA-N
MW417.51 g/mol
LogP4.10
Rot. Bonds6

About 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide

3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide (PubChem CID 89376332) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide
PubChem CID89376332
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide
SMILES[H]/N=C1\CCc2cc(Nc3c(C(=O)NCCN4CCCCC4)oc4cnccc34)ccc21
InChIInChI=1S/C24H27N5O2/c25-20-7-4-16-14-17(5-6-18(16)20)28-22-19-8-9-26-15-21(19)31-23(22)24(30)27-10-13-29-11-2-1-3-12-29/h5-6,8-9,14-15,25,28H,1-4,7,10-13H2,(H,27,30)/b25-20+
InChIKeyDIGSSQOWPJDPJX-LKUDQCMESA-N
XLogP4.10
TPSA94.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide (CID 89376332) is 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide is [H]/N=C1\CCc2cc(Nc3c(C(=O)NCCN4CCCCC4)oc4cnccc34)ccc21.
What is the InChIKey of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is DIGSSQOWPJDPJX-LKUDQCMESA-N. The full InChI is InChI=1S/C24H27N5O2/c25-20-7-4-16-14-17(5-6-18(16)20)28-22-19-8-9-26-15-21(19)31-23(22)24(30)27-10-13-29-11-2-1-3-12-29/h5-6,8-9,14-15,25,28H,1-4,7,10-13H2,(H,27,30)/b25-20+.
What are the key properties of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide?
3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-piperidin-1-ylethyl)furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 89376332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).