3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide

C22H17N5O2 — CID 89376408

IUPAC3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide
SMILES[H]/N=C1\CCc2cc(Nc3c(C(=O)Nc4cccnc4)oc4cnccc34)ccc21
InChIInChI=1S/C22H17N5O2/c23-18-6-3-13-10-14(4-5-16(13)18)26-20-17-7-9-25-12-19(17)29-21(20)22(28)27-15-2-1-8-24-11-15/h1-2,4-5,7-12,23,26H,3,6H2,(H,27,28)/b23-18+
InChIKeyPAYKTAUPGGBYEG-PTGBLXJZSA-N
MW383.41 g/mol
LogP4.53
Rot. Bonds4

About 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide

3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide (PubChem CID 89376408) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide
PubChem CID89376408
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide
SMILES[H]/N=C1\CCc2cc(Nc3c(C(=O)Nc4cccnc4)oc4cnccc34)ccc21
InChIInChI=1S/C22H17N5O2/c23-18-6-3-13-10-14(4-5-16(13)18)26-20-17-7-9-25-12-19(17)29-21(20)22(28)27-15-2-1-8-24-11-15/h1-2,4-5,7-12,23,26H,3,6H2,(H,27,28)/b23-18+
InChIKeyPAYKTAUPGGBYEG-PTGBLXJZSA-N
XLogP4.53
TPSA103.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.53
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-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide (CID 89376408) is 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide is [H]/N=C1\CCc2cc(Nc3c(C(=O)Nc4cccnc4)oc4cnccc34)ccc21.
What is the InChIKey of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide?
The InChIKey is PAYKTAUPGGBYEG-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H17N5O2/c23-18-6-3-13-10-14(4-5-16(13)18)26-20-17-7-9-25-12-19(17)29-21(20)22(28)27-15-2-1-8-24-11-15/h1-2,4-5,7-12,23,26H,3,6H2,(H,27,28)/b23-18+.
What are the key properties of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide?
3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 4.53, 4 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-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 89376408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).