5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide

C21H24N2O3 — CID 167883086

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(CO)CC1)c1cncc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C21H24N2O3/c24-13-14-1-4-19(5-2-14)23-21(25)18-10-17(11-22-12-18)15-3-6-20-16(9-15)7-8-26-20/h3,6,9-12,14,19,24H,1-2,4-5,7-8,13H2,(H,23,25)
InChIKeyVFLOCWWDWRUFMJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.96
Rot. Bonds4

About 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide

5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 167883086) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID167883086
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(CO)CC1)c1cncc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C21H24N2O3/c24-13-14-1-4-19(5-2-14)23-21(25)18-10-17(11-22-12-18)15-3-6-20-16(9-15)7-8-26-20/h3,6,9-12,14,19,24H,1-2,4-5,7-8,13H2,(H,23,25)
InChIKeyVFLOCWWDWRUFMJ-UHFFFAOYSA-N
XLogP2.96
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
5-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]pentanoic acid
CID 120525366
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid
CID 120519337
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-ethylamino]propanoic acid
CID 120516834
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524389
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120514994
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122112738
2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527794
N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide (CID 167883086) is 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(CO)CC1)c1cncc(-c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is VFLOCWWDWRUFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-13-14-1-4-19(5-2-14)23-21(25)18-10-17(11-22-12-18)15-3-6-20-16(9-15)7-8-26-20/h3,6,9-12,14,19,24H,1-2,4-5,7-8,13H2,(H,23,25).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 167883086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).