methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

C32H33ClN4O5 — CID 90060525

IUPACmethyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(Cl)c3OC)=CC1=O)c1cc-2ccn1
InChIInChI=1S/C32H33ClN4O5/c1-19-6-4-9-28(37-15-13-21(17-29(37)38)24-7-5-8-25(33)30(24)41-2)27-16-20(12-14-34-27)23-11-10-22(35-32(40)42-3)18-26(23)36-31(19)39/h5,7-8,10-12,14,16-19,28H,4,6,9,13,15H2,1-3H3,(H,35,40)(H,36,39)/t19-,28+/m1/s1
InChIKeyGJWIXJQSUJTPHG-GDJIYFAZSA-N
MW589.09 g/mol
LogP6.70
Rot. Bonds4

About methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate (PubChem CID 90060525) has the molecular formula C32H33ClN4O5 and a molecular weight of 589.09 g/mol. Its IUPAC name is methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
PubChem CID90060525
Molecular FormulaC32H33ClN4O5
Molecular Weight589.09 g/mol
Exact Mass588.21
IUPAC Namemethyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(Cl)c3OC)=CC1=O)c1cc-2ccn1
InChIInChI=1S/C32H33ClN4O5/c1-19-6-4-9-28(37-15-13-21(17-29(37)38)24-7-5-8-25(33)30(24)41-2)27-16-20(12-14-34-27)23-11-10-22(35-32(40)42-3)18-26(23)36-31(19)39/h5,7-8,10-12,14,16-19,28H,4,6,9,13,15H2,1-3H3,(H,35,40)(H,36,39)/t19-,28+/m1/s1
InChIKeyGJWIXJQSUJTPHG-GDJIYFAZSA-N
XLogP6.70
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.09
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The IUPAC name of methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate (CID 90060525) is methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate.
What is the SMILES notation for methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The canonical SMILES for methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate is COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(Cl)c3OC)=CC1=O)c1cc-2ccn1.
What is the InChIKey of methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
The InChIKey is GJWIXJQSUJTPHG-GDJIYFAZSA-N. The full InChI is InChI=1S/C32H33ClN4O5/c1-19-6-4-9-28(37-15-13-21(17-29(37)38)24-7-5-8-25(33)30(24)41-2)27-16-20(12-14-34-27)23-11-10-22(35-32(40)42-3)18-26(23)36-31(19)39/h5,7-8,10-12,14,16-19,28H,4,6,9,13,15H2,1-3H3,(H,35,40)(H,36,39)/t19-,28+/m1/s1.
What are the key properties of methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate?
methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate has a molecular weight of 589.09 g/mol, XLogP of 6.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(10R,14S)-14-[4-(3-chloro-2-methoxyphenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate is sourced from PubChem (CID 90060525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).