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

C14H18N4O2 — CID 103173299

IUPAC4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine
SMILESCOc1ccnc(CN(C)c2ccncc2N)c1OC
InChIInChI=1S/C14H18N4O2/c1-18(12-4-6-16-8-10(12)15)9-11-14(20-3)13(19-2)5-7-17-11/h4-8H,9,15H2,1-3H3
InChIKeyPGHDHDQZUYXURT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.71
Rot. Bonds5

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

4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine (PubChem CID 103173299) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine
PubChem CID103173299
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine
SMILESCOc1ccnc(CN(C)c2ccncc2N)c1OC
InChIInChI=1S/C14H18N4O2/c1-18(12-4-6-16-8-10(12)15)9-11-14(20-3)13(19-2)5-7-17-11/h4-8H,9,15H2,1-3H3
InChIKeyPGHDHDQZUYXURT-UHFFFAOYSA-N
XLogP1.71
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine
CID 62698618
2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline
CID 103173297
4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
1-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-N-methylbutane-1,3-diamine
CID 103174073
4-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61357479
4-methoxypyridin-3-amine;dihydrochloride
CID 163333119
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61358641
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
2-[(3-amino-4-pyridinyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 61357480
2-benzyl-3,4-dimethoxypyridine
CID 141149610

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine (CID 103173299) is 4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine is COc1ccnc(CN(C)c2ccncc2N)c1OC.
What is the InChIKey of 4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine?
The InChIKey is PGHDHDQZUYXURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18(12-4-6-16-8-10(12)15)9-11-14(20-3)13(19-2)5-7-17-11/h4-8H,9,15H2,1-3H3.
What are the key properties of 4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine?
4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine has a molecular weight of 274.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 103173299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).