5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid

C16H13N5O2 — CID 69229004

IUPAC5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C16H13N5O2/c1-10-8-19-14(15(22)23)7-13(10)21-16-18-6-4-12(20-16)11-3-2-5-17-9-11/h2-9H,1H3,(H,22,23)(H,18,19,20,21)
InChIKeyQKIQQBZSBPBUQU-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.68
Rot. Bonds4

About 5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid

5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid (PubChem CID 69229004) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid
PubChem CID69229004
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C16H13N5O2/c1-10-8-19-14(15(22)23)7-13(10)21-16-18-6-4-12(20-16)11-3-2-5-17-9-11/h2-9H,1H3,(H,22,23)(H,18,19,20,21)
InChIKeyQKIQQBZSBPBUQU-UHFFFAOYSA-N
XLogP2.68
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid (CID 69229004) is 5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid is Cc1cnc(C(=O)O)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is QKIQQBZSBPBUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-10-8-19-14(15(22)23)7-13(10)21-16-18-6-4-12(20-16)11-3-2-5-17-9-11/h2-9H,1H3,(H,22,23)(H,18,19,20,21).
What are the key properties of 5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid?
5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 69229004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).