3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile

C19H22N4O3 — CID 146296026

IUPAC3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile
SMILESCOc1cc(CNc2cc(N3CCOCC3)cnc2C#N)cc(OC)c1
InChIInChI=1S/C19H22N4O3/c1-24-16-7-14(8-17(10-16)25-2)12-21-18-9-15(13-22-19(18)11-20)23-3-5-26-6-4-23/h7-10,13,21H,3-6,12H2,1-2H3
InChIKeyWNOYXATUROFXLT-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.42
Rot. Bonds6

About 3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile

3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile (PubChem CID 146296026) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile
PubChem CID146296026
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile
SMILESCOc1cc(CNc2cc(N3CCOCC3)cnc2C#N)cc(OC)c1
InChIInChI=1S/C19H22N4O3/c1-24-16-7-14(8-17(10-16)25-2)12-21-18-9-15(13-22-19(18)11-20)23-3-5-26-6-4-23/h7-10,13,21H,3-6,12H2,1-2H3
InChIKeyWNOYXATUROFXLT-UHFFFAOYSA-N
XLogP2.42
TPSA79.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile (CID 146296026) is 3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile is COc1cc(CNc2cc(N3CCOCC3)cnc2C#N)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile?
The InChIKey is WNOYXATUROFXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-24-16-7-14(8-17(10-16)25-2)12-21-18-9-15(13-22-19(18)11-20)23-3-5-26-6-4-23/h7-10,13,21H,3-6,12H2,1-2H3.
What are the key properties of 3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile?
3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile has a molecular weight of 354.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile is sourced from PubChem (CID 146296026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).