benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate

C34H43N7O4 — CID 142900649

IUPACbenzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate
SMILESCCCc1c(NCC2C(=O)OC(C)(C)N2C(=O)OCc2ccccc2)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1
InChIInChI=1S/C34H43N7O4/c1-4-9-26-30(36-20-28-32(42)45-34(2,3)41(28)33(43)44-21-23-10-6-5-7-11-23)37-22-38-31(26)40-18-15-24(16-19-40)27-14-13-25-12-8-17-35-29(25)39-27/h5-7,10-11,13-14,22,24,28H,4,8-9,12,15-21H2,1-3H3,(H,35,39)(H,36,37,38)
InChIKeyVJPXSHHFYMUDMR-UHFFFAOYSA-N
MW613.76 g/mol
LogP5.28
Rot. Bonds9

About benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate

benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 142900649) has the molecular formula C34H43N7O4 and a molecular weight of 613.76 g/mol. Its IUPAC name is benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID142900649
Molecular FormulaC34H43N7O4
Molecular Weight613.76 g/mol
Exact Mass613.34
IUPAC Namebenzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate
SMILESCCCc1c(NCC2C(=O)OC(C)(C)N2C(=O)OCc2ccccc2)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1
InChIInChI=1S/C34H43N7O4/c1-4-9-26-30(36-20-28-32(42)45-34(2,3)41(28)33(43)44-21-23-10-6-5-7-11-23)37-22-38-31(26)40-18-15-24(16-19-40)27-14-13-25-12-8-17-35-29(25)39-27/h5-7,10-11,13-14,22,24,28H,4,8-9,12,15-21H2,1-3H3,(H,35,39)(H,36,37,38)
InChIKeyVJPXSHHFYMUDMR-UHFFFAOYSA-N
XLogP5.28
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

2-(phenylmethoxycarbonylamino)-3-[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 67326809
ethyl (2S)-3-[[5-ethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-2-(phenylmethoxycarbonylamino)propanoate;dihydrochloride
CID 131727600
(2S)-2-[ethyl(phenylmethoxycarbonyl)amino]-3-[[5-ethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 68899126
benzyl N-[1-[[5-ethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-3-oxopropan-2-yl]carbamate
CID 142900619
(2S)-2-(benzylcarbamoylamino)-3-[[5-ethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 59593200
(2S)-3-[[5-ethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-2-(3-phenylpropanoylamino)propanoic acid
CID 59550785
tert-butyl (2S)-3-[[5-ethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-2-[(2-phenylacetyl)amino]propanoate
CID 59593215
benzyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-[[5-ethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-oxopropan-2-yl]carbamate
CID 142900668
(2S)-2-[[[5-methoxy-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-4-oxo-4-phenylmethoxybutanoic acid
CID 58371825
tert-butyl (2S)-3-[[5-ethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-2-(3-phenylpropylamino)propanoate
CID 59550774
tert-butyl (2S)-2-[[[5-methyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-6-phenylhexanoate
CID 58149599
2-amino-3-[[5-methyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 67397225

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate (CID 142900649) is benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate is CCCc1c(NCC2C(=O)OC(C)(C)N2C(=O)OCc2ccccc2)ncnc1N1CCC(c2ccc3c(n2)NCCC3)CC1.
What is the InChIKey of benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is VJPXSHHFYMUDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O4/c1-4-9-26-30(36-20-28-32(42)45-34(2,3)41(28)33(43)44-21-23-10-6-5-7-11-23)37-22-38-31(26)40-18-15-24(16-19-40)27-14-13-25-12-8-17-35-29(25)39-27/h5-7,10-11,13-14,22,24,28H,4,8-9,12,15-21H2,1-3H3,(H,35,39)(H,36,37,38).
What are the key properties of benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate?
benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 613.76 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-dimethyl-5-oxo-4-[[[5-propyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 142900649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).