methyl N-[(10R,14S)-14-[4-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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

C32H34ClN5O6 — CID 73053132

IUPACmethyl N-[(10R,14S)-14-[4-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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(c3nccc(Cl)c3OC)=CC1=O)c1cc-2cc(OC)n1
InChIInChI=1S/C32H34ClN5O6/c1-18-6-5-7-26(38-13-11-19(16-28(38)39)29-30(43-3)23(33)10-12-34-29)25-14-20(15-27(36-25)42-2)22-9-8-21(35-32(41)44-4)17-24(22)37-31(18)40/h8-10,12,14-18,26H,5-7,11,13H2,1-4H3,(H,35,41)(H,37,40)/t18-,26+/m1/s1
InChIKeyYRVVTNRXDLFTOG-DWXRJYCRSA-N
MW620.11 g/mol
LogP6.11
Rot. Bonds5

About methyl N-[(10R,14S)-14-[4-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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 73053132) has the molecular formula C32H34ClN5O6 and a molecular weight of 620.11 g/mol. Its IUPAC name is methyl N-[(10R,14S)-14-[4-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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 CID73053132
Molecular FormulaC32H34ClN5O6
Molecular Weight620.11 g/mol
Exact Mass619.22
IUPAC Namemethyl N-[(10R,14S)-14-[4-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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(c3nccc(Cl)c3OC)=CC1=O)c1cc-2cc(OC)n1
InChIInChI=1S/C32H34ClN5O6/c1-18-6-5-7-26(38-13-11-19(16-28(38)39)29-30(43-3)23(33)10-12-34-29)25-14-20(15-27(36-25)42-2)22-9-8-21(35-32(41)44-4)17-24(22)37-31(18)40/h8-10,12,14-18,26H,5-7,11,13H2,1-4H3,(H,35,41)(H,37,40)/t18-,26+/m1/s1
InChIKeyYRVVTNRXDLFTOG-DWXRJYCRSA-N
XLogP6.11
TPSA131.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.11
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl N-[(10R,14S)-14-[4-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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 73053132) is methyl N-[(10R,14S)-14-[4-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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(c3nccc(Cl)c3OC)=CC1=O)c1cc-2cc(OC)n1.
What is the InChIKey of methyl N-[(10R,14S)-14-[4-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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 YRVVTNRXDLFTOG-DWXRJYCRSA-N. The full InChI is InChI=1S/C32H34ClN5O6/c1-18-6-5-7-26(38-13-11-19(16-28(38)39)29-30(43-3)23(33)10-12-34-29)25-14-20(15-27(36-25)42-2)22-9-8-21(35-32(41)44-4)17-24(22)37-31(18)40/h8-10,12,14-18,26H,5-7,11,13H2,1-4H3,(H,35,41)(H,37,40)/t18-,26+/m1/s1.
What are the key properties of methyl N-[(10R,14S)-14-[4-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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 620.11 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(10R,14S)-14-[4-(4-chloro-3-methoxy-2-pyridinyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-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 73053132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).