4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide

C23H27N3O3 — CID 162519539

IUPAC4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide
SMILESCOCCNC1CCC(NC(=O)c2ccc(-c3nccc4occc34)cc2)CC1
InChIInChI=1S/C23H27N3O3/c1-28-15-13-24-18-6-8-19(9-7-18)26-23(27)17-4-2-16(3-5-17)22-20-11-14-29-21(20)10-12-25-22/h2-5,10-12,14,18-19,24H,6-9,13,15H2,1H3,(H,26,27)
InChIKeyWLJDIIHTMXAOIZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.77
Rot. Bonds7

About 4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide

4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide (PubChem CID 162519539) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide
PubChem CID162519539
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide
SMILESCOCCNC1CCC(NC(=O)c2ccc(-c3nccc4occc34)cc2)CC1
InChIInChI=1S/C23H27N3O3/c1-28-15-13-24-18-6-8-19(9-7-18)26-23(27)17-4-2-16(3-5-17)22-20-11-14-29-21(20)10-12-25-22/h2-5,10-12,14,18-19,24H,6-9,13,15H2,1H3,(H,26,27)
InChIKeyWLJDIIHTMXAOIZ-UHFFFAOYSA-N
XLogP3.77
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxyethyl)cyclohexyl]benzamide
CID 162519495
N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900588
4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxycyclopropyl)cyclohexyl]benzamide
CID 162519561
trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 170170991
4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 166901154
4-furo[3,2-c]pyridin-4-yl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]benzamide
CID 166900969
(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 170171245
4-furo[3,2-c]pyridin-4-yl-N-(1-pyridazin-3-ylpiperidin-4-yl)benzamide
CID 162519533
ethyl 2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]-1,3-oxazole-5-carboxylate
CID 169304015
N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900978
4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 170173451
4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
CID 162519560

Frequently Asked Questions

What is the IUPAC name of 4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide?
The IUPAC name of 4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide (CID 162519539) is 4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide.
What is the SMILES notation for 4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide?
The canonical SMILES for 4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide is COCCNC1CCC(NC(=O)c2ccc(-c3nccc4occc34)cc2)CC1.
What is the InChIKey of 4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide?
The InChIKey is WLJDIIHTMXAOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-28-15-13-24-18-6-8-19(9-7-18)26-23(27)17-4-2-16(3-5-17)22-20-11-14-29-21(20)10-12-25-22/h2-5,10-12,14,18-19,24H,6-9,13,15H2,1H3,(H,26,27).
What are the key properties of 4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide?
4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide is sourced from PubChem (CID 162519539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).