tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate

C23H29ClN4O4 — CID 170715645

IUPACtert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate
SMILESCOc1cc(NC(=O)Cc2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2)ncc1Cl
InChIInChI=1S/C23H29ClN4O4/c1-23(2,3)32-22(30)28-9-5-6-16(14-28)18-8-7-15(12-25-18)10-21(29)27-20-11-19(31-4)17(24)13-26-20/h7-8,11-13,16H,5-6,9-10,14H2,1-4H3,(H,26,27,29)
InChIKeyRHRLDNQVKWVYNY-UHFFFAOYSA-N
MW460.96 g/mol
LogP4.43
Rot. Bonds5

About tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate

tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate (PubChem CID 170715645) has the molecular formula C23H29ClN4O4 and a molecular weight of 460.96 g/mol. Its IUPAC name is tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate
PubChem CID170715645
Molecular FormulaC23H29ClN4O4
Molecular Weight460.96 g/mol
Exact Mass460.19
IUPAC Nametert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate
SMILESCOc1cc(NC(=O)Cc2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2)ncc1Cl
InChIInChI=1S/C23H29ClN4O4/c1-23(2,3)32-22(30)28-9-5-6-16(14-28)18-8-7-15(12-25-18)10-21(29)27-20-11-19(31-4)17(24)13-26-20/h7-8,11-13,16H,5-6,9-10,14H2,1-4H3,(H,26,27,29)
InChIKeyRHRLDNQVKWVYNY-UHFFFAOYSA-N
XLogP4.43
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate 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

tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 170715565
tert-butyl 4-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170715592
tert-butyl 5-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-3-methoxy-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170715780
[5-chloro-2-[[2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetyl]amino]-4-pyridinyl] N,N-dimethylcarbamate
CID 170715460
tert-butyl 4-[5-[2-[[5-chloro-4-[1-(dimethylamino)propan-2-yloxy]-2-pyridinyl]amino]-2-oxoethyl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170715530
tert-butyl 3-[[5-(hydroxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 150009330
tert-butyl 3-[[3-(4-chloro-3-fluorophenyl)-2-oxopropanoyl]amino]piperidine-1-carboxylate
CID 161470649
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
tert-butyl (3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67043985
tert-butyl 3-[[5-chloro-4-(2-ethyl-3-fluorophenyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 123166458
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate (CID 170715645) is tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate is COc1cc(NC(=O)Cc2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)nc2)ncc1Cl.
What is the InChIKey of tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate?
The InChIKey is RHRLDNQVKWVYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O4/c1-23(2,3)32-22(30)28-9-5-6-16(14-28)18-8-7-15(12-25-18)10-21(29)27-20-11-19(31-4)17(24)13-26-20/h7-8,11-13,16H,5-6,9-10,14H2,1-4H3,(H,26,27,29).
What are the key properties of tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate?
tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate has a molecular weight of 460.96 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 170715645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).