2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine

C19H18ClN5O — CID 154583495

IUPAC2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine
SMILESClc1cnccc1N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1
InChIInChI=1S/C19H18ClN5O/c20-17-13-22-8-3-18(17)25-9-4-16(5-10-25)26-19-23-11-15(12-24-19)14-1-6-21-7-2-14/h1-3,6-8,11-13,16H,4-5,9-10H2
InChIKeyJATPOWDXJQYVGP-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.63
Rot. Bonds4

About 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine

2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine (PubChem CID 154583495) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine
PubChem CID154583495
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine
SMILESClc1cnccc1N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1
InChIInChI=1S/C19H18ClN5O/c20-17-13-22-8-3-18(17)25-9-4-16(5-10-25)26-19-23-11-15(12-24-19)14-1-6-21-7-2-14/h1-3,6-8,11-13,16H,4-5,9-10H2
InChIKeyJATPOWDXJQYVGP-UHFFFAOYSA-N
XLogP3.63
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine?
The IUPAC name of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine (CID 154583495) is 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine.
What is the SMILES notation for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine?
The canonical SMILES for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine is Clc1cnccc1N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1.
What is the InChIKey of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine?
The InChIKey is JATPOWDXJQYVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-17-13-22-8-3-18(17)25-9-4-16(5-10-25)26-19-23-11-15(12-24-19)14-1-6-21-7-2-14/h1-3,6-8,11-13,16H,4-5,9-10H2.
What are the key properties of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine?
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine has a molecular weight of 367.84 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-pyridin-4-ylpyrimidine is sourced from PubChem (CID 154583495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).