N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

C23H24ClN3O2 — CID 14330379

IUPACN-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(c1ccc(Cl)nc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H24ClN3O2/c24-22-9-8-20(17-25-22)27(23(28)21-7-4-16-29-21)19-11-14-26(15-12-19)13-10-18-5-2-1-3-6-18/h1-9,16-17,19H,10-15H2
InChIKeyBJRDISIRIPRCBB-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.68
Rot. Bonds6

About N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 14330379) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID14330379
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC NameN-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(c1ccc(Cl)nc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H24ClN3O2/c24-22-9-8-20(17-25-22)27(23(28)21-7-4-16-29-21)19-11-14-26(15-12-19)13-10-18-5-2-1-3-6-18/h1-9,16-17,19H,10-15H2
InChIKeyBJRDISIRIPRCBB-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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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (CID 14330379) is N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is O=C(c1ccco1)N(c1ccc(Cl)nc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is BJRDISIRIPRCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-22-9-8-20(17-25-22)27(23(28)21-7-4-16-29-21)19-11-14-26(15-12-19)13-10-18-5-2-1-3-6-18/h1-9,16-17,19H,10-15H2.
What are the key properties of N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
N-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-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-(6-chloro-3-pyridinyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 14330379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).