4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid

C19H19N5O2 — CID 163287152

IUPAC4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCc1cccc(-c2ncc(C(C)C)c(Nc3ccncc3C(=O)O)n2)n1
InChIInChI=1S/C19H19N5O2/c1-11(2)13-10-21-18(16-6-4-5-12(3)22-16)24-17(13)23-15-7-8-20-9-14(15)19(25)26/h4-11H,1-3H3,(H,25,26)(H,20,21,23,24)
InChIKeyVYDJGQRGTBLZQD-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.81
Rot. Bonds5

About 4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid

4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 163287152) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID163287152
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCc1cccc(-c2ncc(C(C)C)c(Nc3ccncc3C(=O)O)n2)n1
InChIInChI=1S/C19H19N5O2/c1-11(2)13-10-21-18(16-6-4-5-12(3)22-16)24-17(13)23-15-7-8-20-9-14(15)19(25)26/h4-11H,1-3H3,(H,25,26)(H,20,21,23,24)
InChIKeyVYDJGQRGTBLZQD-UHFFFAOYSA-N
XLogP3.81
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate
CID 126499612
4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243430
N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
CID 135262295
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 58770378
4-[[5-methoxy-2-(1-methylindazol-3-yl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 130429979
4-[[5-(dimethylamino)-2-(2-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 143303719
4-(3-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 81232442
4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;ethane
CID 142874305
N-(2-hydroxyethyl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide
CID 163287384
4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid
CID 143011020
N-(1-hydroxybutan-2-yl)-4-[5-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydropteridin-8-yl]pyridine-3-carboxamide
CID 163287333
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid (CID 163287152) is 4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid is Cc1cccc(-c2ncc(C(C)C)c(Nc3ccncc3C(=O)O)n2)n1.
What is the InChIKey of 4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is VYDJGQRGTBLZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11(2)13-10-21-18(16-6-4-5-12(3)22-16)24-17(13)23-15-7-8-20-9-14(15)19(25)26/h4-11H,1-3H3,(H,25,26)(H,20,21,23,24).
What are the key properties of 4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 163287152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).