[5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate

C32H38N2O4 — CID 134366364

IUPAC[5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate
SMILESCOc1ccc(C2CCC(C(=O)c3nc(COC(=O)NC(C)(C)C)ccc3C3CC3)CC2)c2ccccc12
InChIInChI=1S/C32H38N2O4/c1-32(2,3)34-31(36)38-19-23-15-16-25(21-9-10-21)29(33-23)30(35)22-13-11-20(12-14-22)24-17-18-28(37-4)27-8-6-5-7-26(24)27/h5-8,15-18,20-22H,9-14,19H2,1-4H3,(H,34,36)
InChIKeyKYYZHSKSUHGNPH-UHFFFAOYSA-N
MW514.67 g/mol
LogP7.30
Rot. Bonds7

About [5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate

[5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate (PubChem CID 134366364) has the molecular formula C32H38N2O4 and a molecular weight of 514.67 g/mol. Its IUPAC name is [5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate
PubChem CID134366364
Molecular FormulaC32H38N2O4
Molecular Weight514.67 g/mol
Exact Mass514.28
IUPAC Name[5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate
SMILESCOc1ccc(C2CCC(C(=O)c3nc(COC(=O)NC(C)(C)C)ccc3C3CC3)CC2)c2ccccc12
InChIInChI=1S/C32H38N2O4/c1-32(2,3)34-31(36)38-19-23-15-16-25(21-9-10-21)29(33-23)30(35)22-13-11-20(12-14-22)24-17-18-28(37-4)27-8-6-5-7-26(24)27/h5-8,15-18,20-22H,9-14,19H2,1-4H3,(H,34,36)
InChIKeyKYYZHSKSUHGNPH-UHFFFAOYSA-N
XLogP7.30
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate?
The IUPAC name of [5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate (CID 134366364) is [5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate?
The canonical SMILES for [5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate is COc1ccc(C2CCC(C(=O)c3nc(COC(=O)NC(C)(C)C)ccc3C3CC3)CC2)c2ccccc12.
What is the InChIKey of [5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate?
The InChIKey is KYYZHSKSUHGNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O4/c1-32(2,3)34-31(36)38-19-23-15-16-25(21-9-10-21)29(33-23)30(35)22-13-11-20(12-14-22)24-17-18-28(37-4)27-8-6-5-7-26(24)27/h5-8,15-18,20-22H,9-14,19H2,1-4H3,(H,34,36).
What are the key properties of [5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate?
[5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate has a molecular weight of 514.67 g/mol, XLogP of 7.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-[4-(4-methoxynaphthalen-1-yl)cyclohexanecarbonyl]-2-pyridinyl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 134366364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).