3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid

C16H20N6O3 — CID 71246113

IUPAC3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
SMILESCOc1ncccc1Nc1nccc(NC2CCCN(C(=O)O)C2)n1
InChIInChI=1S/C16H20N6O3/c1-25-14-12(5-2-7-17-14)20-15-18-8-6-13(21-15)19-11-4-3-9-22(10-11)16(23)24/h2,5-8,11H,3-4,9-10H2,1H3,(H,23,24)(H2,18,19,20,21)
InChIKeyKQMDGMYBSBQHCV-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.18
Rot. Bonds5

About 3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid

3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid (PubChem CID 71246113) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
PubChem CID71246113
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
SMILESCOc1ncccc1Nc1nccc(NC2CCCN(C(=O)O)C2)n1
InChIInChI=1S/C16H20N6O3/c1-25-14-12(5-2-7-17-14)20-15-18-8-6-13(21-15)19-11-4-3-9-22(10-11)16(23)24/h2,5-8,11H,3-4,9-10H2,1H3,(H,23,24)(H2,18,19,20,21)
InChIKeyKQMDGMYBSBQHCV-UHFFFAOYSA-N
XLogP2.18
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-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

[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino] piperidine-1-carboxylate
CID 140653841
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
2-N-(2-methoxy-3-pyridinyl)pyrimidine-2,4-diamine
CID 71246669
tert-butyl (3R)-3-[[4-[(2-methoxy-3-pyridinyl)amino]-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 90411138
3-[[4-[2-[2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)amino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135326978
3-[[2-(methoxymethyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
CID 138022710
3-[[4-[2-[2-methyl-5-(propanoylamino)naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135327558
3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid
CID 66759782
N-cyclopentyl-2-methoxypyridin-3-amine
CID 43721756
3-[[4-[2-[2-methyl-5-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]naphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135327926
(3S)-3-[[4-[2-[5-(azetidin-1-ylsulfonylamino)-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135328194
3-[[4-[2-[5-[(2-cyclopropyl-2-oxoethyl)amino]-2-methylnaphthalen-1-yl]oxy-3-pyridinyl]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 135328357

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid (CID 71246113) is 3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid is COc1ncccc1Nc1nccc(NC2CCCN(C(=O)O)C2)n1.
What is the InChIKey of 3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is KQMDGMYBSBQHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-25-14-12(5-2-7-17-14)20-15-18-8-6-13(21-15)19-11-4-3-9-22(10-11)16(23)24/h2,5-8,11H,3-4,9-10H2,1H3,(H,23,24)(H2,18,19,20,21).
What are the key properties of 3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 344.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 71246113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).