2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid

C14H15N5O2 — CID 161035113

IUPAC2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid
SMILESCc1ccnc(N)c1C#N.Cc1ccnc(N)c1C(=O)O
InChIInChI=1S/C7H7N3.C7H8N2O2/c1-5-2-3-10-7(9)6(5)4-8;1-4-2-3-9-6(8)5(4)7(10)11/h2-3H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9)(H,10,11)
InChIKeyUADLWJGHFANMEW-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.51
Rot. Bonds1

About 2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid

2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid (PubChem CID 161035113) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid
PubChem CID161035113
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid
SMILESCc1ccnc(N)c1C#N.Cc1ccnc(N)c1C(=O)O
InChIInChI=1S/C7H7N3.C7H8N2O2/c1-5-2-3-10-7(9)6(5)4-8;1-4-2-3-9-6(8)5(4)7(10)11/h2-3H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9)(H,10,11)
InChIKeyUADLWJGHFANMEW-UHFFFAOYSA-N
XLogP1.51
TPSA138.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid (CID 161035113) is 2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid is Cc1ccnc(N)c1C#N.Cc1ccnc(N)c1C(=O)O.
What is the InChIKey of 2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid?
The InChIKey is UADLWJGHFANMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C7H8N2O2/c1-5-2-3-10-7(9)6(5)4-8;1-4-2-3-9-6(8)5(4)7(10)11/h2-3H,1H3,(H2,9,10);2-3H,1H3,(H2,8,9)(H,10,11).
What are the key properties of 2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid?
2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid has a molecular weight of 285.31 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 161035113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).