N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

C23H21N3O5S — CID 86290368

IUPACN-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NCCCO)sc23)c1
InChIInChI=1S/C23H21N3O5S/c1-14-7-11-30-20(14)23(29)26-15-4-2-5-16(12-15)31-18-6-9-24-17-13-19(32-21(17)18)22(28)25-8-3-10-27/h2,4-7,9,11-13,27H,3,8,10H2,1H3,(H,25,28)(H,26,29)
InChIKeyXAQMEOPJZXSVTD-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.35
Rot. Bonds8

About N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 86290368) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID86290368
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC NameN-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NCCCO)sc23)c1
InChIInChI=1S/C23H21N3O5S/c1-14-7-11-30-20(14)23(29)26-15-4-2-5-16(12-15)31-18-6-9-24-17-13-19(32-21(17)18)22(28)25-8-3-10-27/h2,4-7,9,11-13,27H,3,8,10H2,1H3,(H,25,28)(H,26,29)
InChIKeyXAQMEOPJZXSVTD-UHFFFAOYSA-N
XLogP4.35
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (CID 86290368) is N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)NCCCO)sc23)c1.
What is the InChIKey of N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is XAQMEOPJZXSVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-14-7-11-30-20(14)23(29)26-15-4-2-5-16(12-15)31-18-6-9-24-17-13-19(32-21(17)18)22(28)25-8-3-10-27/h2,4-7,9,11-13,27H,3,8,10H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 86290368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).