N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C22H18N4O2 — CID 137231015

About N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 137231015) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

• Compound Name: N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
• PubChem CID: 137231015
• Molecular Formula: C22H18N4O2
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.14
• IUPAC Name: N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
• SMILES: Cc1cccc(-c2oc3cnccc3c2Nc2ccc3c(c2)CCC3=NO)n1
• InChI: InChI=1S/C22H18N4O2/c1-13-3-2-4-19(24-13)22-21(17-9-10-23-12-20(17)28-22)25-15-6-7-16-14(11-15)5-8-18(16)26-27/h2-4,6-7,9-12,25,27H,5,8H2,1H3
• InChIKey: XPKUOWQIIAHMHH-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 83.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

The IUPAC name of N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 137231015) is N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

What is the SMILES notation for N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

The canonical SMILES for N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is Cc1cccc(-c2oc3cnccc3c2Nc2ccc3c(c2)CCC3=NO)n1.

What is the InChIKey of N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

The InChIKey is XPKUOWQIIAHMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-13-3-2-4-19(24-13)22-21(17-9-10-23-12-20(17)28-22)25-15-6-7-16-14(11-15)5-8-18(16)26-27/h2-4,6-7,9-12,25,27H,5,8H2,1H3.

What are the key properties of N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?

N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 370.41 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(6-methyl-2-pyridinyl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 137231015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).