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

C24H29ClN4O4 — CID 170715592

IUPACtert-butyl 4-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1cc(NC(=O)Cc2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3C)nc2)ncc1Cl
InChIInChI=1S/C24H29ClN4O4/c1-15-14-29(23(31)33-24(2,3)4)9-8-17(15)19-7-6-16(12-26-19)10-22(30)28-21-11-20(32-5)18(25)13-27-21/h6-8,11-13,15H,9-10,14H2,1-5H3,(H,27,28,30)
InChIKeyNVYNJQKYCOKQGM-UHFFFAOYSA-N
MW472.97 g/mol
LogP4.59
Rot. Bonds5

About 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

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 (PubChem CID 170715592) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl 4-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID170715592
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Nametert-butyl 4-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1cc(NC(=O)Cc2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3C)nc2)ncc1Cl
InChIInChI=1S/C24H29ClN4O4/c1-15-14-29(23(31)33-24(2,3)4)9-8-17(15)19-7-6-16(12-26-19)10-22(30)28-21-11-20(32-5)18(25)13-27-21/h6-8,11-13,15H,9-10,14H2,1-5H3,(H,27,28,30)
InChIKeyNVYNJQKYCOKQGM-UHFFFAOYSA-N
XLogP4.59
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate
CID 170715645
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 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 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
N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane
CID 170715575
N-[5-chloro-4-[(2S)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide
CID 170715500
tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155191904
tert-butyl 3,4-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 123597908
[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid
CID 167461421
(2S)-2-[[5-chloro-2-[[2-[6-(6-cyano-3-pyridinyl)-3-pyridinyl]acetyl]amino]-4-pyridinyl]oxy]-N-methylpropanamide
CID 170715450
N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide
CID 170715577
tert-butyl 4-[2-(4-chloro-5-ethyl-2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 123875989

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(NC(=O)Cc2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3C)nc2)ncc1Cl.
What is the InChIKey of 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?
The InChIKey is NVYNJQKYCOKQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-15-14-29(23(31)33-24(2,3)4)9-8-17(15)19-7-6-16(12-26-19)10-22(30)28-21-11-20(32-5)18(25)13-27-21/h6-8,11-13,15H,9-10,14H2,1-5H3,(H,27,28,30).
What are the key properties of 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?
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 has a molecular weight of 472.97 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170715592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).