N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine

C20H26N2O3 — CID 172753361

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine
SMILESCOc1ccc(CNc2ncccc2C2CC(C)CCO2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-14-8-10-25-19(11-14)17-5-4-9-21-20(17)22-13-15-6-7-16(23-2)12-18(15)24-3/h4-7,9,12,14,19H,8,10-11,13H2,1-3H3,(H,21,22)
InChIKeyKRLPGKRABGOMBM-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.20
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine (PubChem CID 172753361) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine
PubChem CID172753361
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine
SMILESCOc1ccc(CNc2ncccc2C2CC(C)CCO2)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-14-8-10-25-19(11-14)17-5-4-9-21-20(17)22-13-15-6-7-16(23-2)12-18(15)24-3/h4-7,9,12,14,19H,8,10-11,13H2,1-3H3,(H,21,22)
InChIKeyKRLPGKRABGOMBM-UHFFFAOYSA-N
XLogP4.20
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine
CID 174573113
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 139004064
N-[(2,4-dimethoxyphenyl)methyl]-1-ethylimidazol-2-amine
CID 63362794
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine
CID 163207711
tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-methylamino]piperidine-1-carboxylate
CID 67276766
tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]methylamino]piperidine-1-carboxylate;ethane;methanethiol
CID 143001406
N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
CID 162376872
3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 168934278

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine (CID 172753361) is N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine is COc1ccc(CNc2ncccc2C2CC(C)CCO2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine?
The InChIKey is KRLPGKRABGOMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-8-10-25-19(11-14)17-5-4-9-21-20(17)22-13-15-6-7-16(23-2)12-18(15)24-3/h4-7,9,12,14,19H,8,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine has a molecular weight of 342.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-(4-methyloxan-2-yl)pyridin-2-amine is sourced from PubChem (CID 172753361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).