[7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol

C20H24N4O4 — CID 70677539

IUPAC[7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol
SMILESCCCCCNc1oc2c(C)ncc(CO)c2c1Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O4/c1-3-4-5-9-21-20-18(23-15-7-6-8-16(10-15)24(26)27)17-14(12-25)11-22-13(2)19(17)28-20/h6-8,10-11,21,23,25H,3-5,9,12H2,1-2H3
InChIKeyPEWKBGWLJDXYGN-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.88
Rot. Bonds9

About [7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol

[7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol (PubChem CID 70677539) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is [7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol.

Molecular Properties

Compound Name[7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol
PubChem CID70677539
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name[7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol
SMILESCCCCCNc1oc2c(C)ncc(CO)c2c1Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O4/c1-3-4-5-9-21-20-18(23-15-7-6-8-16(10-15)24(26)27)17-14(12-25)11-22-13(2)19(17)28-20/h6-8,10-11,21,23,25H,3-5,9,12H2,1-2H3
InChIKeyPEWKBGWLJDXYGN-UHFFFAOYSA-N
XLogP4.88
TPSA113.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 [7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol?
The IUPAC name of [7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol (CID 70677539) is [7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol.
What is the SMILES notation for [7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol?
The canonical SMILES for [7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol is CCCCCNc1oc2c(C)ncc(CO)c2c1Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of [7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol?
The InChIKey is PEWKBGWLJDXYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-4-5-9-21-20-18(23-15-7-6-8-16(10-15)24(26)27)17-14(12-25)11-22-13(2)19(17)28-20/h6-8,10-11,21,23,25H,3-5,9,12H2,1-2H3.
What are the key properties of [7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol?
[7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol has a molecular weight of 384.44 g/mol, XLogP of 4.88, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol is sourced from PubChem (CID 70677539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).