N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine

C20H26ClN3O — CID 3042230

IUPACN-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine
SMILESCC1CN(CCCN(c2ccncc2)c2cccc(Cl)c2)CC(C)O1
InChIInChI=1S/C20H26ClN3O/c1-16-14-23(15-17(2)25-16)11-4-12-24(19-7-9-22-10-8-19)20-6-3-5-18(21)13-20/h3,5-10,13,16-17H,4,11-12,14-15H2,1-2H3
InChIKeyOLVNWSGLYPBNLS-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.37
Rot. Bonds6

About N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine

N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine (PubChem CID 3042230) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine
PubChem CID3042230
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine
SMILESCC1CN(CCCN(c2ccncc2)c2cccc(Cl)c2)CC(C)O1
InChIInChI=1S/C20H26ClN3O/c1-16-14-23(15-17(2)25-16)11-4-12-24(19-7-9-22-10-8-19)20-6-3-5-18(21)13-20/h3,5-10,13,16-17H,4,11-12,14-15H2,1-2H3
InChIKeyOLVNWSGLYPBNLS-UHFFFAOYSA-N
XLogP4.37
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine (CID 3042230) is N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine is CC1CN(CCCN(c2ccncc2)c2cccc(Cl)c2)CC(C)O1.
What is the InChIKey of N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine?
The InChIKey is OLVNWSGLYPBNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-16-14-23(15-17(2)25-16)11-4-12-24(19-7-9-22-10-8-19)20-6-3-5-18(21)13-20/h3,5-10,13,16-17H,4,11-12,14-15H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine?
N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine has a molecular weight of 359.90 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridin-4-amine is sourced from PubChem (CID 3042230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).