N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide

C18H21ClN4O2 — CID 89363606

IUPACN-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Oc3ccc(N)c(Cl)c3)ccn2)CC1
InChIInChI=1S/C18H21ClN4O2/c1-23-8-5-12(6-9-23)18(24)22-17-11-14(4-7-21-17)25-13-2-3-16(20)15(19)10-13/h2-4,7,10-12H,5-6,8-9,20H2,1H3,(H,21,22,24)
InChIKeyXWJQXQTXMUXWTI-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.39
Rot. Bonds4

About N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide

N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide (PubChem CID 89363606) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
PubChem CID89363606
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Oc3ccc(N)c(Cl)c3)ccn2)CC1
InChIInChI=1S/C18H21ClN4O2/c1-23-8-5-12(6-9-23)18(24)22-17-11-14(4-7-21-17)25-13-2-3-16(20)15(19)10-13/h2-4,7,10-12H,5-6,8-9,20H2,1H3,(H,21,22,24)
InChIKeyXWJQXQTXMUXWTI-UHFFFAOYSA-N
XLogP3.39
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide (CID 89363606) is N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc(Oc3ccc(N)c(Cl)c3)ccn2)CC1.
What is the InChIKey of N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is XWJQXQTXMUXWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-23-8-5-12(6-9-23)18(24)22-17-11-14(4-7-21-17)25-13-2-3-16(20)15(19)10-13/h2-4,7,10-12H,5-6,8-9,20H2,1H3,(H,21,22,24).
What are the key properties of N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide?
N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 89363606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).