4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

C16H18ClN5O3 — CID 141132530

IUPAC4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCc1cc(Cl)cnc1Nc1cc(OC2CCN(C(=O)O)CC2)ncn1
InChIInChI=1S/C16H18ClN5O3/c1-10-6-11(17)8-18-15(10)21-13-7-14(20-9-19-13)25-12-2-4-22(5-3-12)16(23)24/h6-9,12H,2-5H2,1H3,(H,23,24)(H,18,19,20,21)
InChIKeyUZYVBVMXUNOQFN-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.10
Rot. Bonds4

About 4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (PubChem CID 141132530) has the molecular formula C16H18ClN5O3 and a molecular weight of 363.81 g/mol. Its IUPAC name is 4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
PubChem CID141132530
Molecular FormulaC16H18ClN5O3
Molecular Weight363.81 g/mol
Exact Mass363.11
IUPAC Name4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCc1cc(Cl)cnc1Nc1cc(OC2CCN(C(=O)O)CC2)ncn1
InChIInChI=1S/C16H18ClN5O3/c1-10-6-11(17)8-18-15(10)21-13-7-14(20-9-19-13)25-12-2-4-22(5-3-12)16(23)24/h6-9,12H,2-5H2,1H3,(H,23,24)(H,18,19,20,21)
InChIKeyUZYVBVMXUNOQFN-UHFFFAOYSA-N
XLogP3.10
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-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

4-[6-(3-chloro-4-cyanoanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141132607
4-[6-[2-methyl-4-(propylamino)anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 68819427
4-[6-(4-piperidin-1-ylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141132528
tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 150400924
1-[(5-chloro-3-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 122094088
4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 87802411
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid
CID 118917506
4-[[(6-chloropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid
CID 87133565
4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 87848540
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87945005
2-tert-butyl-4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87695655

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid (CID 141132530) is 4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is Cc1cc(Cl)cnc1Nc1cc(OC2CCN(C(=O)O)CC2)ncn1.
What is the InChIKey of 4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is UZYVBVMXUNOQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O3/c1-10-6-11(17)8-18-15(10)21-13-7-14(20-9-19-13)25-12-2-4-22(5-3-12)16(23)24/h6-9,12H,2-5H2,1H3,(H,23,24)(H,18,19,20,21).
What are the key properties of 4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 363.81 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(5-chloro-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 141132530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).