5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid

C13H18N2O2 — CID 80631533

IUPAC5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)CC1CC1C
InChIInChI=1S/C13H18N2O2/c1-8-4-11(8)7-15(3)12-9(2)5-10(6-14-12)13(16)17/h5-6,8,11H,4,7H2,1-3H3,(H,16,17)
InChIKeyGXDCXPQSAJCRTR-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.18
Rot. Bonds4

About 5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid

5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 80631533) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid
PubChem CID80631533
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)CC1CC1C
InChIInChI=1S/C13H18N2O2/c1-8-4-11(8)7-15(3)12-9(2)5-10(6-14-12)13(16)17/h5-6,8,11H,4,7H2,1-3H3,(H,16,17)
InChIKeyGXDCXPQSAJCRTR-UHFFFAOYSA-N
XLogP2.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid (CID 80631533) is 5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N(C)CC1CC1C.
What is the InChIKey of 5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is GXDCXPQSAJCRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-4-11(8)7-15(3)12-9(2)5-10(6-14-12)13(16)17/h5-6,8,11H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid?
5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 80631533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).