N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine

C25H28N4O4 — CID 127249198

IUPACN-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine
SMILESCOc1cc2c(cc1CN1CCOC(c3ccc(Nc4cccc(C)n4)cn3)C1)OCCO2
InChIInChI=1S/C25H28N4O4/c1-17-4-3-5-25(27-17)28-19-6-7-20(26-14-19)24-16-29(8-9-31-24)15-18-12-22-23(13-21(18)30-2)33-11-10-32-22/h3-7,12-14,24H,8-11,15-16H2,1-2H3,(H,27,28)
InChIKeyUFEJTNURJGNITH-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.88
Rot. Bonds6

About N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine

N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine (PubChem CID 127249198) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine
PubChem CID127249198
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine
SMILESCOc1cc2c(cc1CN1CCOC(c3ccc(Nc4cccc(C)n4)cn3)C1)OCCO2
InChIInChI=1S/C25H28N4O4/c1-17-4-3-5-25(27-17)28-19-6-7-20(26-14-19)24-16-29(8-9-31-24)15-18-12-22-23(13-21(18)30-2)33-11-10-32-22/h3-7,12-14,24H,8-11,15-16H2,1-2H3,(H,27,28)
InChIKeyUFEJTNURJGNITH-UHFFFAOYSA-N
XLogP3.88
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[(2R)-4-[(8-methoxyquinolin-2-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine
CID 124951705
N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 127249181
N-[6-[4-[(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249193
6-methyl-N-[6-[(2S)-4-(2-phenylmethoxyethyl)morpholin-2-yl]-3-pyridinyl]pyridin-2-amine
CID 125021997
N-(2-methoxyethyl)-2-[(2S)-2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]acetamide
CID 124959331
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
CID 110218627
3-[2-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 127249067
N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 124977478
N-[2-[(3R)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 95834980
6-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112505
6-[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-3-amine
CID 110272026
N-[2-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 95834979

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine (CID 127249198) is N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine is COc1cc2c(cc1CN1CCOC(c3ccc(Nc4cccc(C)n4)cn3)C1)OCCO2.
What is the InChIKey of N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine?
The InChIKey is UFEJTNURJGNITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17-4-3-5-25(27-17)28-19-6-7-20(26-14-19)24-16-29(8-9-31-24)15-18-12-22-23(13-21(18)30-2)33-11-10-32-22/h3-7,12-14,24H,8-11,15-16H2,1-2H3,(H,27,28).
What are the key properties of N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine?
N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine has a molecular weight of 448.52 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-3-pyridinyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 127249198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).