2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine

C20H28N4O2 — CID 174573113

IUPAC2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine
SMILESCOc1ccc(CNc2ncccc2N(C)C2CCNCC2)c(OC)c1
InChIInChI=1S/C20H28N4O2/c1-24(16-8-11-21-12-9-16)18-5-4-10-22-20(18)23-14-15-6-7-17(25-2)13-19(15)26-3/h4-7,10,13,16,21H,8-9,11-12,14H2,1-3H3,(H,22,23)
InChIKeyOOBFXROXMBRHSE-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.90
Rot. Bonds7

About 2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine

2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine (PubChem CID 174573113) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine
PubChem CID174573113
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine
SMILESCOc1ccc(CNc2ncccc2N(C)C2CCNCC2)c(OC)c1
InChIInChI=1S/C20H28N4O2/c1-24(16-8-11-21-12-9-16)18-5-4-10-22-20(18)23-14-15-6-7-17(25-2)13-19(15)26-3/h4-7,10,13,16,21H,8-9,11-12,14H2,1-3H3,(H,22,23)
InChIKeyOOBFXROXMBRHSE-UHFFFAOYSA-N
XLogP2.90
TPSA58.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine with MolForge

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Related Compounds

tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate
CID 67276766
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
1-N-[(2,4-dimethoxyphenyl)methyl]-5-N-ethyl-5-N-methylisoquinoline-1,5-diamine;ethane
CID 164902212
N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
CID 162376872
N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine
CID 172753361
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171091218
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 139004064
3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 168934278
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine?
The IUPAC name of 2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine (CID 174573113) is 2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine is COc1ccc(CNc2ncccc2N(C)C2CCNCC2)c(OC)c1.
What is the InChIKey of 2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine?
The InChIKey is OOBFXROXMBRHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-24(16-8-11-21-12-9-16)18-5-4-10-22-20(18)23-14-15-6-7-17(25-2)13-19(15)26-3/h4-7,10,13,16,21H,8-9,11-12,14H2,1-3H3,(H,22,23).
What are the key properties of 2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine?
2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine has a molecular weight of 356.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine is sourced from PubChem (CID 174573113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).