6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile

C10H14N4O — CID 118036603

IUPAC6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile
SMILESCOC(C)CNc1cc(N)ncc1C#N
InChIInChI=1S/C10H14N4O/c1-7(15-2)5-13-9-3-10(12)14-6-8(9)4-11/h3,6-7H,5H2,1-2H3,(H3,12,13,14)
InChIKeyXPOSWDOIQDVOKC-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.98
Rot. Bonds4

About 6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile

6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile (PubChem CID 118036603) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile
PubChem CID118036603
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile
SMILESCOC(C)CNc1cc(N)ncc1C#N
InChIInChI=1S/C10H14N4O/c1-7(15-2)5-13-9-3-10(12)14-6-8(9)4-11/h3,6-7H,5H2,1-2H3,(H3,12,13,14)
InChIKeyXPOSWDOIQDVOKC-UHFFFAOYSA-N
XLogP0.98
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile 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

2-Anilino-4-(dimethylamino)nicotinonitrile
CID 1487153
5-[[5-Cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 162652202
2-[(2-Hydroxyethyl)amino]pyridine-3-carbonitrile
CID 17860931
4-Anilino-2-(dimethylamino)nicotinonitrile
CID 3245823
4-(Cyclohexylamino)-2-imino-1,2-dihydropyridine-3-carbonitrile
CID 3064502
3-Pyridinecarbonitrile, 2-amino-4-((3-methylyphenyl)amino)-
CID 3076293
6-[2-[(Dimethylamino)methyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 53603882
2-Amino-4-anilino-3,5-pyridinedicarbonitrile
CID 745897
4,6-Diaminonicotinonitrile
CID 295896
2-[(2,2-Dimethoxyethyl)amino]nicotinonitrile
CID 12563412
2-Amino-4-(dimethylamino)nicotinonitrile
CID 13438873
2,4-Diaminopyridine-3-carbonitrile
CID 70549080

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile (CID 118036603) is 6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile is COC(C)CNc1cc(N)ncc1C#N.
What is the InChIKey of 6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile?
The InChIKey is XPOSWDOIQDVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(15-2)5-13-9-3-10(12)14-6-8(9)4-11/h3,6-7H,5H2,1-2H3,(H3,12,13,14).
What are the key properties of 6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile?
6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 118036603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).