5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile

C19H20ClN5O — CID 134160931

IUPAC5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCC(COc3cc(C4CC4)ncn3)CC2)c(Cl)c1
InChIInChI=1S/C19H20ClN5O/c20-16-7-14(9-21)10-22-19(16)25-5-3-13(4-6-25)11-26-18-8-17(15-1-2-15)23-12-24-18/h7-8,10,12-13,15H,1-6,11H2
InChIKeyMGDMHVCZUZGFKF-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.57
Rot. Bonds5

About 5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile

5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 134160931) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID134160931
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCC(COc3cc(C4CC4)ncn3)CC2)c(Cl)c1
InChIInChI=1S/C19H20ClN5O/c20-16-7-14(9-21)10-22-19(16)25-5-3-13(4-6-25)11-26-18-8-17(15-1-2-15)23-12-24-18/h7-8,10,12-13,15H,1-6,11H2
InChIKeyMGDMHVCZUZGFKF-UHFFFAOYSA-N
XLogP3.57
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile (CID 134160931) is 5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cnc(N2CCC(COc3cc(C4CC4)ncn3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is MGDMHVCZUZGFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-16-7-14(9-21)10-22-19(16)25-5-3-13(4-6-25)11-26-18-8-17(15-1-2-15)23-12-24-18/h7-8,10,12-13,15H,1-6,11H2.
What are the key properties of 5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile?
5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 369.86 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 134160931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).