2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine

C14H17N3O — CID 81131728

IUPAC2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
SMILESCOc1cccc(CNc2nc(C)ccc2N)c1
InChIInChI=1S/C14H17N3O/c1-10-6-7-13(15)14(17-10)16-9-11-4-3-5-12(8-11)18-2/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyGODHCRZLFPJWNK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.59
Rot. Bonds4

About 2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine

2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine (PubChem CID 81131728) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
PubChem CID81131728
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
SMILESCOc1cccc(CNc2nc(C)ccc2N)c1
InChIInChI=1S/C14H17N3O/c1-10-6-7-13(15)14(17-10)16-9-11-4-3-5-12(8-11)18-2/h3-8H,9,15H2,1-2H3,(H,16,17)
InChIKeyGODHCRZLFPJWNK-UHFFFAOYSA-N
XLogP2.59
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
CID 114405610
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
CID 66279303
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 166178490
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80776127
6-ethoxy-2-N-[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 61028652
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine
CID 79021830
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine (CID 81131728) is 2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine is COc1cccc(CNc2nc(C)ccc2N)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine?
The InChIKey is GODHCRZLFPJWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-6-7-13(15)14(17-10)16-9-11-4-3-5-12(8-11)18-2/h3-8H,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine?
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 81131728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).