2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine

C14H18N4O — CID 43678938

IUPAC2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NCc1ccncc1
InChIInChI=1S/C14H18N4O/c1-18(2)12-6-9-16-14(19-3)13(12)17-10-11-4-7-15-8-5-11/h4-9,17H,10H2,1-3H3
InChIKeyACTFSOWQQYXKNL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.16
Rot. Bonds5

About 2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine

2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine (PubChem CID 43678938) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
PubChem CID43678938
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NCc1ccncc1
InChIInChI=1S/C14H18N4O/c1-18(2)12-6-9-16-14(19-3)13(12)17-10-11-4-7-15-8-5-11/h4-9,17H,10H2,1-3H3
InChIKeyACTFSOWQQYXKNL-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile
CID 43678951
3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678976
2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine
CID 43679012
3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 102831966
2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol
CID 115951113
2-methoxy-3-N-(4-methoxy-4-methylpentan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678871
3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678972
2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine
CID 82834992
3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678920
3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol
CID 65337596
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-2-methyl-2-(methylamino)propanamide
CID 62836562
1-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-7-amine
CID 82572518

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine (CID 43678938) is 2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine is COc1nccc(N(C)C)c1NCc1ccncc1.
What is the InChIKey of 2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine?
The InChIKey is ACTFSOWQQYXKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(2)12-6-9-16-14(19-3)13(12)17-10-11-4-7-15-8-5-11/h4-9,17H,10H2,1-3H3.
What are the key properties of 2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine?
2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 43678938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).