N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C20H21N3O3 — CID 47796963

IUPACN-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)C2Cc3ccccc3O2)CC1)c1cccnc1
InChIInChI=1S/C20H21N3O3/c24-19(15-5-3-9-21-13-15)22-16-7-10-23(11-8-16)20(25)18-12-14-4-1-2-6-17(14)26-18/h1-6,9,13,16,18H,7-8,10-12H2,(H,22,24)
InChIKeyCKQYMXYHAPENEI-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.81
Rot. Bonds3

About N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47796963) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID47796963
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)C2Cc3ccccc3O2)CC1)c1cccnc1
InChIInChI=1S/C20H21N3O3/c24-19(15-5-3-9-21-13-15)22-16-7-10-23(11-8-16)20(25)18-12-14-4-1-2-6-17(14)26-18/h1-6,9,13,16,18H,7-8,10-12H2,(H,22,24)
InChIKeyCKQYMXYHAPENEI-UHFFFAOYSA-N
XLogP1.81
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511
N-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796916
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 95324469
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 47796963) is N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(C(=O)C2Cc3ccccc3O2)CC1)c1cccnc1.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is CKQYMXYHAPENEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19(15-5-3-9-21-13-15)22-16-7-10-23(11-8-16)20(25)18-12-14-4-1-2-6-17(14)26-18/h1-6,9,13,16,18H,7-8,10-12H2,(H,22,24).
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47796963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).