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

C13H15N3O — CID 61029303

IUPAC2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
SMILESCOc1cccc(CNc2ncccc2N)c1
InChIInChI=1S/C13H15N3O/c1-17-11-5-2-4-10(8-11)9-16-13-12(14)6-3-7-15-13/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyFKFRUXUVADBJJK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.28
Rot. Bonds4

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

2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine (PubChem CID 61029303) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
PubChem CID61029303
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
SMILESCOc1cccc(CNc2ncccc2N)c1
InChIInChI=1S/C13H15N3O/c1-17-11-5-2-4-10(8-11)9-16-13-12(14)6-3-7-15-13/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyFKFRUXUVADBJJK-UHFFFAOYSA-N
XLogP2.28
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
CID 66279303
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440
5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
CID 114405610
2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 24708484
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
6-ethoxy-2-N-[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 61028652
3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704
N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56680103
N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine
CID 113371329
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 166178490

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine (CID 61029303) is 2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine is COc1cccc(CNc2ncccc2N)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine?
The InChIKey is FKFRUXUVADBJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-11-5-2-4-10(8-11)9-16-13-12(14)6-3-7-15-13/h2-8H,9,14H2,1H3,(H,15,16).
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine?
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine has a molecular weight of 229.28 g/mol, XLogP of 2.28, 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]pyridine-2,3-diamine is sourced from PubChem (CID 61029303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).