2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile

C11H15N3O2 — CID 66177763

IUPAC2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC(O)CO)n1
InChIInChI=1S/C11H15N3O2/c1-7-3-8(2)14-11(10(7)4-12)13-5-9(16)6-15/h3,9,15-16H,5-6H2,1-2H3,(H,13,14)
InChIKeyCLZJFSRSJBGGCL-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.34
Rot. Bonds4

About 2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile

2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 66177763) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID66177763
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC(O)CO)n1
InChIInChI=1S/C11H15N3O2/c1-7-3-8(2)14-11(10(7)4-12)13-5-9(16)6-15/h3,9,15-16H,5-6H2,1-2H3,(H,13,14)
InChIKeyCLZJFSRSJBGGCL-UHFFFAOYSA-N
XLogP0.34
TPSA89.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile (CID 66177763) is 2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCC(O)CO)n1.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is CLZJFSRSJBGGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-3-8(2)14-11(10(7)4-12)13-5-9(16)6-15/h3,9,15-16H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile?
2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 66177763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).