4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile

C10H13N3O — CID 126990333

IUPAC4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile
SMILESCc1cnc(C#N)cc1NCC(C)O
InChIInChI=1S/C10H13N3O/c1-7-5-12-9(4-11)3-10(7)13-6-8(2)14/h3,5,8,14H,6H2,1-2H3,(H,12,13)
InChIKeyXADIFYIIEFWCMV-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.05
Rot. Bonds3

About 4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile

4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile (PubChem CID 126990333) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile
PubChem CID126990333
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile
SMILESCc1cnc(C#N)cc1NCC(C)O
InChIInChI=1S/C10H13N3O/c1-7-5-12-9(4-11)3-10(7)13-6-8(2)14/h3,5,8,14H,6H2,1-2H3,(H,12,13)
InChIKeyXADIFYIIEFWCMV-UHFFFAOYSA-N
XLogP1.05
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile?
The IUPAC name of 4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile (CID 126990333) is 4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile is Cc1cnc(C#N)cc1NCC(C)O.
What is the InChIKey of 4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile?
The InChIKey is XADIFYIIEFWCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-5-12-9(4-11)3-10(7)13-6-8(2)14/h3,5,8,14H,6H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile?
4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylamino)-5-methylpyridine-2-carbonitrile is sourced from PubChem (CID 126990333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).