tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate

C30H35N3O3 — CID 134381452

IUPACtert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2CC2)c(C(=O)C2CCC(c3cccc4ncccc34)CC2)n1
InChIInChI=1S/C30H35N3O3/c1-30(2,3)36-29(35)32-18-22-15-16-24(20-9-10-20)27(33-22)28(34)21-13-11-19(12-14-21)23-6-4-8-26-25(23)7-5-17-31-26/h4-8,15-17,19-21H,9-14,18H2,1-3H3,(H,32,35)
InChIKeyBAVNFCBMRFYMMU-UHFFFAOYSA-N
MW485.63 g/mol
LogP6.69
Rot. Bonds6

About tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate

tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate (PubChem CID 134381452) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
PubChem CID134381452
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Nametert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C2CC2)c(C(=O)C2CCC(c3cccc4ncccc34)CC2)n1
InChIInChI=1S/C30H35N3O3/c1-30(2,3)36-29(35)32-18-22-15-16-24(20-9-10-20)27(33-22)28(34)21-13-11-19(12-14-21)23-6-4-8-26-25(23)7-5-17-31-26/h4-8,15-17,19-21H,9-14,18H2,1-3H3,(H,32,35)
InChIKeyBAVNFCBMRFYMMU-UHFFFAOYSA-N
XLogP6.69
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate 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 N-[[5-cyclopropyl-6-(4-phenylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
CID 134381262
tert-butyl N-[[5-cyclopropyl-6-[4-[6-(trifluoromethyl)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate
CID 134381173
tert-butyl N-[[6-[4-(4-chloro-3-fluorophenyl)cyclohexanecarbonyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate
CID 150960569
tert-butyl N-[[5-cyclopropyl-6-[4-[6-(oxetan-3-yloxy)-3-pyridinyl]cyclohexanecarbonyl]-2-pyridinyl]methyl]carbamate
CID 155456100
tert-butyl N-[[6-[4-(4-chlorophenyl)cyclohexanecarbonyl]-5-propan-2-yl-2-pyridinyl]methyl]carbamate
CID 134382059
[6-(aminomethyl)-3-cyclopropyl-2-pyridinyl]-[4-(6-fluoroquinolin-4-yl)cyclohexyl]methanone
CID 162717058
tert-butyl N-[(6-fluoroquinolin-5-yl)methyl]carbamate
CID 177323312
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[[6-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-5-cyclopropyl-2-pyridinyl]methyl]carbamate
CID 134328701
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate
CID 90151076
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate (CID 134381452) is tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C2CC2)c(C(=O)C2CCC(c3cccc4ncccc34)CC2)n1.
What is the InChIKey of tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate?
The InChIKey is BAVNFCBMRFYMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-30(2,3)36-29(35)32-18-22-15-16-24(20-9-10-20)27(33-22)28(34)21-13-11-19(12-14-21)23-6-4-8-26-25(23)7-5-17-31-26/h4-8,15-17,19-21H,9-14,18H2,1-3H3,(H,32,35).
What are the key properties of tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate has a molecular weight of 485.63 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 134381452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).