N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide

C19H23N3O2 — CID 119888472

IUPACN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)C3CCCNC3)cn2)c1C
InChIInChI=1S/C19H23N3O2/c1-13-5-3-7-17(14(13)2)24-18-9-8-16(12-21-18)22-19(23)15-6-4-10-20-11-15/h3,5,7-9,12,15,20H,4,6,10-11H2,1-2H3,(H,22,23)
InChIKeyXOVBYSCEILSZOF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.43
Rot. Bonds4

About N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide

N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide (PubChem CID 119888472) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
PubChem CID119888472
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)C3CCCNC3)cn2)c1C
InChIInChI=1S/C19H23N3O2/c1-13-5-3-7-17(14(13)2)24-18-9-8-16(12-21-18)22-19(23)15-6-4-10-20-11-15/h3,5,7-9,12,15,20H,4,6,10-11H2,1-2H3,(H,22,23)
InChIKeyXOVBYSCEILSZOF-UHFFFAOYSA-N
XLogP3.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119864063
N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride
CID 119858521
N-[6-(3-carbamoylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119872961
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888485
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119888475
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]piperidine-3-carboxamide
CID 119891511
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124607684
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647001
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55150610
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
CID 119315223
3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide (CID 119888472) is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide is Cc1cccc(Oc2ccc(NC(=O)C3CCCNC3)cn2)c1C.
What is the InChIKey of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide?
The InChIKey is XOVBYSCEILSZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-5-3-7-17(14(13)2)24-18-9-8-16(12-21-18)22-19(23)15-6-4-10-20-11-15/h3,5,7-9,12,15,20H,4,6,10-11H2,1-2H3,(H,22,23).
What are the key properties of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide?
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 119888472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).