N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline

C18H23N3O — CID 143943044

IUPACN,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline
SMILESCNc1ccc(C)c(-c2ccc(CN3CCOCC3)nc2)c1
InChIInChI=1S/C18H23N3O/c1-14-3-5-16(19-2)11-18(14)15-4-6-17(20-12-15)13-21-7-9-22-10-8-21/h3-6,11-12,19H,7-10,13H2,1-2H3
InChIKeyBQOLDMXZGHGVDT-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.93
Rot. Bonds4

About N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline

N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline (PubChem CID 143943044) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline.

Molecular Properties

Compound NameN,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline
PubChem CID143943044
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline
SMILESCNc1ccc(C)c(-c2ccc(CN3CCOCC3)nc2)c1
InChIInChI=1S/C18H23N3O/c1-14-3-5-16(19-2)11-18(14)15-4-6-17(20-12-15)13-21-7-9-22-10-8-21/h3-6,11-12,19H,7-10,13H2,1-2H3
InChIKeyBQOLDMXZGHGVDT-UHFFFAOYSA-N
XLogP2.93
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]-3-(2,4,5-trimethylphenyl)urea
CID 22217789
1-(3,4-dimethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-iodophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 160763698
1-(5-tert-butyl-2-methylphenyl)-1-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 70135344
1-[(1E)-1-[tert-butyl(methyl)amino]-3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)buta-1,3-dien-2-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea
CID 143943039
N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide
CID 166705219
N,4-dimethyl-3-(6-methyl-5-pyrrolidin-1-yl-3-pyridinyl)aniline
CID 134379372
4-[[5-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]methyl]morpholine
CID 146252768
4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine
CID 91211472
4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine
CID 144686812
1,2-dimethyl-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-2-pyrimidin-2-ylphenyl]guanidine;N-ethylformamide
CID 142995955
1-(4-cyanophenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22217756
3-ethoxycarbonyl-5-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
CID 68908757

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline?
The IUPAC name of N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline (CID 143943044) is N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline.
What is the SMILES notation for N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline?
The canonical SMILES for N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline is CNc1ccc(C)c(-c2ccc(CN3CCOCC3)nc2)c1.
What is the InChIKey of N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline?
The InChIKey is BQOLDMXZGHGVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-3-5-16(19-2)11-18(14)15-4-6-17(20-12-15)13-21-7-9-22-10-8-21/h3-6,11-12,19H,7-10,13H2,1-2H3.
What are the key properties of N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline?
N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline has a molecular weight of 297.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline is sourced from PubChem (CID 143943044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).