N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide

C23H24ClN3O2 — CID 14330375

IUPACN-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
SMILESO=C(c1ccoc1)N(c1cccnc1Cl)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H24ClN3O2/c24-22-21(7-4-12-25-22)27(23(28)19-11-16-29-17-19)20-9-14-26(15-10-20)13-8-18-5-2-1-3-6-18/h1-7,11-12,16-17,20H,8-10,13-15H2
InChIKeyAGXOWHFNWHJFGU-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.68
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide

N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide (PubChem CID 14330375) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
PubChem CID14330375
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC NameN-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
SMILESO=C(c1ccoc1)N(c1cccnc1Cl)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H24ClN3O2/c24-22-21(7-4-12-25-22)27(23(28)19-11-16-29-17-19)20-9-14-26(15-10-20)13-8-18-5-2-1-3-6-18/h1-7,11-12,16-17,20H,8-10,13-15H2
InChIKeyAGXOWHFNWHJFGU-UHFFFAOYSA-N
XLogP4.68
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 42606461
CID 42606461
CID 14330399
CID 14330399
CID 10095628
CID 10095628
CID 14330381
CID 14330381
CID 14330362
CID 14330362
CID 14330373
CID 14330373
CID 2817679
CID 2817679
CID 8040437
CID 8040437
CID 14330379
CID 14330379
CID 37807003
CID 37807003
CID 42778764
CID 42778764
CID 56760381
CID 56760381

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide (CID 14330375) is N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide is O=C(c1ccoc1)N(c1cccnc1Cl)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide?
The InChIKey is AGXOWHFNWHJFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-22-21(7-4-12-25-22)27(23(28)19-11-16-29-17-19)20-9-14-26(15-10-20)13-8-18-5-2-1-3-6-18/h1-7,11-12,16-17,20H,8-10,13-15H2.
What are the key properties of N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide?
N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 14330375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).