2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid

C17H15N5O2 — CID 118237908

IUPAC2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(C(=O)O)c3)ccn2)n1
InChIInChI=1S/C17H15N5O2/c1-10-14(17(23)24)7-13(9-20-10)12-3-5-19-16(8-12)22-15-4-6-18-11(2)21-15/h3-9H,1-2H3,(H,23,24)(H,18,19,21,22)
InChIKeySTZLIXFJZRNZAT-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.99
Rot. Bonds4

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

2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 118237908) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid
PubChem CID118237908
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(C(=O)O)c3)ccn2)n1
InChIInChI=1S/C17H15N5O2/c1-10-14(17(23)24)7-13(9-20-10)12-3-5-19-16(8-12)22-15-4-6-18-11(2)21-15/h3-9H,1-2H3,(H,23,24)(H,18,19,21,22)
InChIKeySTZLIXFJZRNZAT-UHFFFAOYSA-N
XLogP2.99
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

PharmaGSID_47333
CID 9951932
Anthranilic acid, N-(2-anilino-4-pyrimidinyl)-
CID 55970
4,4'-(Pyrimidine-2,4-diyldiimino)dibenzoic acid
CID 779302
Bisanilinopyrimidine, 3n
CID 70702127
Bisanilinopyrimidine, 4a
CID 70702132
(S)-3-Pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 9929222
(S)-3-(2-Methoxy-pyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 10135509
Anthranilic acid, N-(2-hydrazino-4-pyrimidinyl)-
CID 777798
Anthranilic acid, N-(6-(2-aminopyrimidinyl))-
CID 35750
2-({2-[(4-Carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 698343
2-[[2-(3-Carboxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 4663984
2-{[2-(Cyclohexylmethoxy)pyrimidin-4-yl]amino}benzoic acid
CID 23647244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid (CID 118237908) is 2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid is Cc1nccc(Nc2cc(-c3cnc(C)c(C(=O)O)c3)ccn2)n1.
What is the InChIKey of 2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is STZLIXFJZRNZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-10-14(17(23)24)7-13(9-20-10)12-3-5-19-16(8-12)22-15-4-6-18-11(2)21-15/h3-9H,1-2H3,(H,23,24)(H,18,19,21,22).
What are the key properties of 2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid?
2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 321.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 118237908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).