2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine

C16H23N3OS — CID 43779993

IUPAC2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NC(c1cccs1)C(C)C
InChIInChI=1S/C16H23N3OS/c1-11(2)14(13-7-6-10-21-13)18-15-12(19(3)4)8-9-17-16(15)20-5/h6-11,14,18H,1-5H3
InChIKeyPCRGOGXKQAJEHV-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.03
Rot. Bonds6

About 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine

2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine (PubChem CID 43779993) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine
PubChem CID43779993
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NC(c1cccs1)C(C)C
InChIInChI=1S/C16H23N3OS/c1-11(2)14(13-7-6-10-21-13)18-15-12(19(3)4)8-9-17-16(15)20-5/h6-11,14,18H,1-5H3
InChIKeyPCRGOGXKQAJEHV-UHFFFAOYSA-N
XLogP4.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine with MolForge

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Related Compounds

3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol
CID 65337596
2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid
CID 66174302
3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678972
3-N-[1-(furan-2-yl)propan-2-yl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 63098550
3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
CID 61456047
3-bromo-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide
CID 63172401
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678920
2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
CID 43678938
2-methoxy-4-N,4-N-dimethyl-3-N-(thian-4-yl)pyridine-3,4-diamine
CID 43679022
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
2-cyclopropyl-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]propanamide
CID 75376281

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine?
The IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine (CID 43779993) is 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine.
What is the SMILES notation for 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine?
The canonical SMILES for 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine is COc1nccc(N(C)C)c1NC(c1cccs1)C(C)C.
What is the InChIKey of 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine?
The InChIKey is PCRGOGXKQAJEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11(2)14(13-7-6-10-21-13)18-15-12(19(3)4)8-9-17-16(15)20-5/h6-11,14,18H,1-5H3.
What are the key properties of 2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine?
2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine has a molecular weight of 305.45 g/mol, XLogP of 4.03, 6 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-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine is sourced from PubChem (CID 43779993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).