5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide

C20H21Cl2N3O2 — CID 44526664

IUPAC5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2/c21-14-1-5-16(6-2-14)27-17-7-9-25(10-8-17)19-18(22)11-13(12-23-19)20(26)24-15-3-4-15/h1-2,5-6,11-12,15,17H,3-4,7-10H2,(H,24,26)
InChIKeyKACWDBJEBOXIOS-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.33
Rot. Bonds5

About 5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide

5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 44526664) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is 5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide
PubChem CID44526664
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2/c21-14-1-5-16(6-2-14)27-17-7-9-25(10-8-17)19-18(22)11-13(12-23-19)20(26)24-15-3-4-15/h1-2,5-6,11-12,15,17H,3-4,7-10H2,(H,24,26)
InChIKeyKACWDBJEBOXIOS-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide (CID 44526664) is 5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1cnc(N2CCC(Oc3ccc(Cl)cc3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is KACWDBJEBOXIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c21-14-1-5-16(6-2-14)27-17-7-9-25(10-8-17)19-18(22)11-13(12-23-19)20(26)24-15-3-4-15/h1-2,5-6,11-12,15,17H,3-4,7-10H2,(H,24,26).
What are the key properties of 5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide?
5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 406.31 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(4-chlorophenoxy)piperidin-1-yl]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 44526664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).