5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid

C19H24N4O2 — CID 110112089

IUPAC5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid
SMILESCc1nc(-c2cncc(C(=O)O)c2)cc(C2CCCN(C(C)C)C2)n1
InChIInChI=1S/C19H24N4O2/c1-12(2)23-6-4-5-14(11-23)17-8-18(22-13(3)21-17)15-7-16(19(24)25)10-20-9-15/h7-10,12,14H,4-6,11H2,1-3H3,(H,24,25)
InChIKeyNKOJVNMIEXDRJS-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.13
Rot. Bonds4

About 5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid

5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid (PubChem CID 110112089) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid
PubChem CID110112089
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid
SMILESCc1nc(-c2cncc(C(=O)O)c2)cc(C2CCCN(C(C)C)C2)n1
InChIInChI=1S/C19H24N4O2/c1-12(2)23-6-4-5-14(11-23)17-8-18(22-13(3)21-17)15-7-16(19(24)25)10-20-9-15/h7-10,12,14H,4-6,11H2,1-3H3,(H,24,25)
InChIKeyNKOJVNMIEXDRJS-UHFFFAOYSA-N
XLogP3.13
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid (CID 110112089) is 5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid is Cc1nc(-c2cncc(C(=O)O)c2)cc(C2CCCN(C(C)C)C2)n1.
What is the InChIKey of 5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid?
The InChIKey is NKOJVNMIEXDRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)23-6-4-5-14(11-23)17-8-18(22-13(3)21-17)15-7-16(19(24)25)10-20-9-15/h7-10,12,14H,4-6,11H2,1-3H3,(H,24,25).
What are the key properties of 5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid?
5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-6-(1-propan-2-ylpiperidin-3-yl)pyrimidin-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 110112089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).