5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid

C12H17N3O3 — CID 81438945

IUPAC5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCC1(CNc2ncc(C(=O)O)cc2N)CCCO1
InChIInChI=1S/C12H17N3O3/c1-12(3-2-4-18-12)7-15-10-9(13)5-8(6-14-10)11(16)17/h5-6H,2-4,7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyPZMSNFKVAUTALT-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.34
Rot. Bonds4

About 5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid

5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 81438945) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID81438945
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCC1(CNc2ncc(C(=O)O)cc2N)CCCO1
InChIInChI=1S/C12H17N3O3/c1-12(3-2-4-18-12)7-15-10-9(13)5-8(6-14-10)11(16)17/h5-6H,2-4,7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyPZMSNFKVAUTALT-UHFFFAOYSA-N
XLogP1.34
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid (CID 81438945) is 5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid is CC1(CNc2ncc(C(=O)O)cc2N)CCCO1.
What is the InChIKey of 5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is PZMSNFKVAUTALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(3-2-4-18-12)7-15-10-9(13)5-8(6-14-10)11(16)17/h5-6H,2-4,7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid?
5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81438945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).