6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide

C21H25N3O2 — CID 37298499

IUPAC6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1Cc2ccccc2O1)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C21H25N3O2/c25-21(23-15-18-13-16-7-3-4-8-19(16)26-18)17-9-10-20(22-14-17)24-11-5-1-2-6-12-24/h3-4,7-10,14,18H,1-2,5-6,11-13,15H2,(H,23,25)/t18-/m1/s1
InChIKeyJKQNAXFEQSULID-GOSISDBHSA-N
MW351.45 g/mol
LogP3.20
Rot. Bonds4

About 6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide

6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 37298499) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
PubChem CID37298499
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1Cc2ccccc2O1)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C21H25N3O2/c25-21(23-15-18-13-16-7-3-4-8-19(16)26-18)17-9-10-20(22-14-17)24-11-5-1-2-6-12-24/h3-4,7-10,14,18H,1-2,5-6,11-13,15H2,(H,23,25)/t18-/m1/s1
InChIKeyJKQNAXFEQSULID-GOSISDBHSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 37298475
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53499736
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 53499843
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 37298471
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111949857
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
6-(azepan-1-yl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 39556788
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090066

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide (CID 37298499) is 6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@H]1Cc2ccccc2O1)c1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is JKQNAXFEQSULID-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(23-15-18-13-16-7-3-4-8-19(16)26-18)17-9-10-20(22-14-17)24-11-5-1-2-6-12-24/h3-4,7-10,14,18H,1-2,5-6,11-13,15H2,(H,23,25)/t18-/m1/s1.
What are the key properties of 6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide?
6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 37298499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).