methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate

C27H32N4O4 — CID 59899153

IUPACmethyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate
SMILESCOC(=O)CC(CCCN1CC[C@@H](CCc2ccc3cccnc3n2)C1=O)c1ccc(OC)nc1
InChIInChI=1S/C27H32N4O4/c1-34-24-12-9-22(18-29-24)21(17-25(32)35-2)6-4-15-31-16-13-20(27(31)33)8-11-23-10-7-19-5-3-14-28-26(19)30-23/h3,5,7,9-10,12,14,18,20-21H,4,6,8,11,13,15-17H2,1-2H3/t20-,21?/m1/s1
InChIKeyVMAVOVUDPYIZPV-VQCQRNETSA-N
MW476.58 g/mol
LogP3.94
Rot. Bonds11

About methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate

methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate (PubChem CID 59899153) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate.

Molecular Properties

Compound Namemethyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate
PubChem CID59899153
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Namemethyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate
SMILESCOC(=O)CC(CCCN1CC[C@@H](CCc2ccc3cccnc3n2)C1=O)c1ccc(OC)nc1
InChIInChI=1S/C27H32N4O4/c1-34-24-12-9-22(18-29-24)21(17-25(32)35-2)6-4-15-31-16-13-20(27(31)33)8-11-23-10-7-19-5-3-14-28-26(19)30-23/h3,5,7,9-10,12,14,18,20-21H,4,6,8,11,13,15-17H2,1-2H3/t20-,21?/m1/s1
InChIKeyVMAVOVUDPYIZPV-VQCQRNETSA-N
XLogP3.94
TPSA94.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate?
The IUPAC name of methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate (CID 59899153) is methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate.
What is the SMILES notation for methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate?
The canonical SMILES for methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate is COC(=O)CC(CCCN1CC[C@@H](CCc2ccc3cccnc3n2)C1=O)c1ccc(OC)nc1.
What is the InChIKey of methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate?
The InChIKey is VMAVOVUDPYIZPV-VQCQRNETSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-34-24-12-9-22(18-29-24)21(17-25(32)35-2)6-4-15-31-16-13-20(27(31)33)8-11-23-10-7-19-5-3-14-28-26(19)30-23/h3,5,7,9-10,12,14,18,20-21H,4,6,8,11,13,15-17H2,1-2H3/t20-,21?/m1/s1.
What are the key properties of methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate?
methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate has a molecular weight of 476.58 g/mol, XLogP of 3.94, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-methoxy-3-pyridinyl)-6-[(3R)-3-[2-(1,8-naphthyridin-2-yl)ethyl]-2-oxopyrrolidin-1-yl]hexanoate is sourced from PubChem (CID 59899153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).