3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile

C18H20N4O2 — CID 175107019

IUPAC3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile
SMILESCOc1ccc(N(C)c2cc(N3CCOCC3)cnc2C#N)cc1
InChIInChI=1S/C18H20N4O2/c1-21(14-3-5-16(23-2)6-4-14)18-11-15(13-20-17(18)12-19)22-7-9-24-10-8-22/h3-6,11,13H,7-10H2,1-2H3
InChIKeyJCHKHTYIENVZBR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.57
Rot. Bonds4

About 3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile

3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile (PubChem CID 175107019) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile
PubChem CID175107019
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile
SMILESCOc1ccc(N(C)c2cc(N3CCOCC3)cnc2C#N)cc1
InChIInChI=1S/C18H20N4O2/c1-21(14-3-5-16(23-2)6-4-14)18-11-15(13-20-17(18)12-19)22-7-9-24-10-8-22/h3-6,11,13H,7-10H2,1-2H3
InChIKeyJCHKHTYIENVZBR-UHFFFAOYSA-N
XLogP2.57
TPSA61.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile
CID 146296026
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
1-N,1-N,4-N-trimethyl-4-N-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]benzene-1,4-diamine
CID 101022137
5-(7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidine-2-carbonitrile
CID 138048050
4-[1-(4-methoxyphenyl)benzimidazol-5-yl]morpholine
CID 164852088
4-[1-[(4-methoxyphenyl)methyl]-2H-pyrido[3,2-d]pyrimidin-7-yl]morpholine
CID 162348657
4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
CID 102236385
4-chloro-2-(4-methoxy-N-methylanilino)benzonitrile
CID 63093755
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile?
The IUPAC name of 3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile (CID 175107019) is 3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile?
The canonical SMILES for 3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile is COc1ccc(N(C)c2cc(N3CCOCC3)cnc2C#N)cc1.
What is the InChIKey of 3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile?
The InChIKey is JCHKHTYIENVZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21(14-3-5-16(23-2)6-4-14)18-11-15(13-20-17(18)12-19)22-7-9-24-10-8-22/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of 3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile?
3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile has a molecular weight of 324.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-N-methylanilino)-5-morpholin-4-ylpyridine-2-carbonitrile is sourced from PubChem (CID 175107019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).