2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine

C13H16N4O — CID 114051199

IUPAC2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine
SMILESCOc1ncccc1CNc1nccc(C)c1N
InChIInChI=1S/C13H16N4O/c1-9-5-7-15-12(11(9)14)17-8-10-4-3-6-16-13(10)18-2/h3-7H,8,14H2,1-2H3,(H,15,17)
InChIKeyFQVNFYIIIRYYLJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.99
Rot. Bonds4

About 2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine

2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine (PubChem CID 114051199) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine
PubChem CID114051199
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine
SMILESCOc1ncccc1CNc1nccc(C)c1N
InChIInChI=1S/C13H16N4O/c1-9-5-7-15-12(11(9)14)17-8-10-4-3-6-16-13(10)18-2/h3-7H,8,14H2,1-2H3,(H,15,17)
InChIKeyFQVNFYIIIRYYLJ-UHFFFAOYSA-N
XLogP1.99
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine
CID 113229570
1-[(2-methoxy-3-pyridinyl)methylamino]isoquinolin-7-ol
CID 106537672
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 80647149
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine
CID 106192514
N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine
CID 61312329
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 80515426
2-[(2-methoxy-3-pyridinyl)methylsulfonyl]-6-methylaniline
CID 81189637
1-N-[(2-methoxy-3-pyridinyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378060
5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016144

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine (CID 114051199) is 2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine is COc1ncccc1CNc1nccc(C)c1N.
What is the InChIKey of 2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine?
The InChIKey is FQVNFYIIIRYYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-5-7-15-12(11(9)14)17-8-10-4-3-6-16-13(10)18-2/h3-7H,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine?
2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine is sourced from PubChem (CID 114051199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).