6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide

C17H17N3O2 — CID 122151432

IUPAC6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1COc2ccccc21)c1ccc(N2CCC2)nc1
InChIInChI=1S/C17H17N3O2/c21-17(12-6-7-16(18-10-12)20-8-3-9-20)19-14-11-22-15-5-2-1-4-13(14)15/h1-2,4-7,10,14H,3,8-9,11H2,(H,19,21)
InChIKeyQUICSDKWRDZPBY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.16
Rot. Bonds3

About 6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide

6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide (PubChem CID 122151432) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide
PubChem CID122151432
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1COc2ccccc21)c1ccc(N2CCC2)nc1
InChIInChI=1S/C17H17N3O2/c21-17(12-6-7-16(18-10-12)20-8-3-9-20)19-14-11-22-15-5-2-1-4-13(14)15/h1-2,4-7,10,14H,3,8-9,11H2,(H,19,21)
InChIKeyQUICSDKWRDZPBY-UHFFFAOYSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94018271
6-(azetidin-1-yl)-N-[4-(pyridin-2-ylamino)cyclohexyl]pyridine-3-carboxamide
CID 136584132
N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47016815
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide
CID 103707167
cis-(1S,3R)-3-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675336
N-piperidin-3-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119425253
6-(azepan-1-yl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
CID 37298499
6-(azepan-1-yl)-N-[(3S,5S)-3,5-bis(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 37319301
6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide
CID 69399827
6-(azepan-1-yl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 39556788

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide (CID 122151432) is 6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide is O=C(NC1COc2ccccc21)c1ccc(N2CCC2)nc1.
What is the InChIKey of 6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide?
The InChIKey is QUICSDKWRDZPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17(12-6-7-16(18-10-12)20-8-3-9-20)19-14-11-22-15-5-2-1-4-13(14)15/h1-2,4-7,10,14H,3,8-9,11H2,(H,19,21).
What are the key properties of 6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide?
6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 122151432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).